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

Systemtic Name: 1-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2/c1-16-13-20(17(2)25(16)12-10-18-7-4-3-5-8-18)21(26)15-24-11-6-9-19(14-24)22(23)27/h3-9,11,13-14H,10,12,15H2,1-2H3,(H-,23,27)/p+1