6-methyl-N-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]-4-oxidanylidene-2-phenethyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 6-methyl-N-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]-4-oxidanylidene-2-phenethyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide Openeye Name: 6-methyl-N-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]-4-oxo-2-phenethyl-1-(4-pyridylmethyl)pyridine-3-carboxamide CAS Name: 6-methyl-N-[2-[(2S)-1-methyl-2-pyrrolidin-1-iumyl]ethyl]-4-oxo-2-phenethyl-1-(pyridin-4-ylmethyl)-3-pyridinecarboxamide IUPAC Name: 6-methyl-N-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]-4-oxo-2-phenethyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide Traditional Name: 4-keto-6-methyl-N-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]-2-phenethyl-1-(4-pyridylmethyl)nicotinamide Formula: C28H35N4O2+ MolecularWeight: 459.6031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CC=NC=C2)CCC3=CC=CC=C3)C(=O)NCCC4CCC[NH+]4C

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CC=NC=C2)CCC3=CC=CC=C3)C(=O)NCC[C@@H]4CCC[NH+]4C

InChI

InChI=1S/C28H34N4O2/c1-21-19-26(33)27(28(34)30-17-14-24-9-6-18-31(24)2)25(11-10-22-7-4-3-5-8-22)32(21)20-23-12-15-29-16-13-23/h3-5,7-8,12-13,15-16,19,24H,6,9-11,14,17-18,20H2,1-2H3,(H,30,34)/p+1/t24-/m0/s1