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

Systemtic Name: ethyl 2,4-dimethyl-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC[NH+](CC2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC[NH+](CC2)C)C

InChI

InChI=1S/C16H25N3O3/c1-5-22-16(21)13-11(2)14(17-12(13)3)15(20)19-8-6-7-18(4)9-10-19/h17H,5-10H2,1-4H3/p+1