methyl 3-[(3,4-dimethylphenyl)methyl]-9-[[(3R)-1-methyl-5-oxidanylidene-pyrrolidin-3-yl]methoxy]-7-oxidanylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepin-3-ium-10-carboxylate

Systemtic Name: methyl 3-[(3,4-dimethylphenyl)methyl]-9-[[(3R)-1-methyl-5-oxidanylidene-pyrrolidin-3-yl]methoxy]-7-oxidanylidene-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepin-3-ium-10-carboxylate Openeye Name: methyl 3-[(3,4-dimethylphenyl)methyl]-9-[[(3R)-1-methyl-5-oxo-pyrrolidin-3-yl]methoxy]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepin-3-ium-10-carboxylate CAS Name: 3-[(3,4-dimethylphenyl)methyl]-9-[[(3R)-1-methyl-5-oxo-3-pyrrolidinyl]methoxy]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepin-3-ium-10-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dimethylphenyl)methyl]-9-[[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methoxy]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepin-3-ium-10-carboxylate Traditional Name: 3-(3,4-dimethylbenzyl)-7-keto-9-[[(3R)-5-keto-1-methyl-pyrrolidin-3-yl]methoxy]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepin-3-ium-10-carboxylic acid methyl ester Formula: C26H34N3O5+ MolecularWeight: 468.56526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+]2CCC3=C(C(=CC(=O)N3CC2)OCC4CC(=O)N(C4)C)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+]2CCC3=C(C(=CC(=O)N3CC2)OC[C@@H]4CC(=O)N(C4)C)C(=O)OC)C

InChI

InChI=1S/C26H33N3O5/c1-17-5-6-19(11-18(17)2)15-28-8-7-21-25(26(32)33-4)22(13-24(31)29(21)10-9-28)34-16-20-12-23(30)27(3)14-20/h5-6,11,13,20H,7-10,12,14-16H2,1-4H3/p+1/t20-/m1/s1