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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1S)-2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-homoveratryl-methyl-ammonium Formula: C23H33N2O5+ MolecularWeight: 417.51852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[NH+](C)CCC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)[NH+](C)CCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C23H32N2O5/c1-8-30-23(27)20-14(2)21(24-15(20)3)22(26)16(4)25(5)12-11-17-9-10-18(28-6)19(13-17)29-7/h9-10,13,16,24H,8,11-12H2,1-7H3/p+1/t16-/m0/s1