[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-[(4-ethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-[(4-ethoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium Traditional Name: [2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-(4-ethoxybenzyl)-methyl-ammonium Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)CC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)CC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C21H28N2O4/c1-6-26-17-10-8-16(9-11-17)12-23(5)13-18(24)20-14(3)19(15(4)22-20)21(25)27-7-2/h8-11,22H,6-7,12-13H2,1-5H3/p+1