cyclopropyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: cyclopropyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: cyclopropyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: cyclopropyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: [2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-cyclopropyl-p-anisyl-ammonium Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+](CC2=CC=C(C=C2)OC)C3CC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+](CC2=CC=C(C=C2)OC)C3CC3

InChI

InChI=1S/C21H26N2O4/c1-13-19(21(25)27-4)14(2)22-20(13)18(24)12-23(16-7-8-16)11-15-5-9-17(26-3)10-6-15/h5-6,9-10,16,22H,7-8,11-12H2,1-4H3/p+1