methyl (1S)-8-[(3,4-dimethylphenyl)methyl]-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-8-[(3,4-dimethylphenyl)methyl]-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-8-[(3,4-dimethylphenyl)methyl]-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-[(3,4-dimethylphenyl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-[(3,4-dimethylphenyl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-8-(3,4-dimethylbenzyl)-3-keto-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+]2CCC3(CC2)C(CC(=O)N3CC=C)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+]2CCC3(CC2)[C@H](CC(=O)N3CC=C)C(=O)OC)C

InChI

InChI=1S/C22H30N2O3/c1-5-10-24-20(25)14-19(21(26)27-4)22(24)8-11-23(12-9-22)15-18-7-6-16(2)17(3)13-18/h5-7,13,19H,1,8-12,14-15H2,2-4H3/p+1/t19-/m1/s1