methyl 2,4-dimethyl-5-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[4-(p-tolylmethyl)-1,4-diazepan-4-ium-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-(4-methylbenzyl)-1,4-diazepan-4-ium-1-carbonyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

InChI

InChI=1S/C22H29N3O3/c1-15-6-8-18(9-7-15)14-24-10-5-11-25(13-12-24)21(26)20-16(2)19(17(3)23-20)22(27)28-4/h6-9,23H,5,10-14H2,1-4H3/p+1