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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H28N2O4/c1-13-20(15(3)24)14(2)22-21(13)17(25)12-23(4)10-9-16-7-8-18(26-5)19(11-16)27-6/h7-8,11,22H,9-10,12H2,1-6H3/p+1