1-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl]pyridin-1-ium-3-carboxamide Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C23H25N3O3/c1-16-13-21(22(27)15-25-11-4-5-19(14-25)23(24)28)17(2)26(16)12-10-18-6-8-20(29-3)9-7-18/h4-9,11,13-14H,10,12,15H2,1-3H3,(H-,24,28)/p+1