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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]azanium Traditional Name: (5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl-homoveratryl-ammonium Formula: C20H29N2O4+ MolecularWeight: 361.45526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C[NH2+]CCC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C[NH2+]CCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C20H28N2O4/c1-6-26-20(23)19-13(2)16(14(3)22-19)12-21-10-9-15-7-8-17(24-4)18(11-15)25-5/h7-8,11,21-22H,6,9-10,12H2,1-5H3/p+1