N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-[(1-oxidanidylpyridin-1-ium-4-yl)methylamino]pyridine-3-carboxamide

Systemtic Name: N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-[(1-oxidanidylpyridin-1-ium-4-yl)methylamino]pyridine-3-carboxamide Openeye Name: N-[4-[1-methyl-1-(1-methyl-4-piperidyl)ethyl]phenyl]-2-[(1-oxidopyridin-1-ium-4-yl)methylamino]pyridine-3-carboxamide CAS Name: N-[4-[2-(1-methyl-4-piperidinyl)propan-2-yl]phenyl]-2-[(1-oxido-4-pyridin-1-iumyl)methylamino]-3-pyridinecarboxamide IUPAC Name: N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-[(1-oxidopyridin-1-ium-4-yl)methylamino]pyridine-3-carboxamide Traditional Name: N-[4-[1-methyl-1-(1-methyl-4-piperidyl)ethyl]phenyl]-2-[(1-oxidopyridin-1-ium-4-yl)methylamino]nicotinamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCN(CC1)C)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=[N+](C=C4)[O-]

Isomeric SMILES

CC(C)(C1CCN(CC1)C)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C27H33N5O2/c1-27(2,22-12-15-31(3)16-13-22)21-6-8-23(9-7-21)30-26(33)24-5-4-14-28-25(24)29-19-20-10-17-32(34)18-11-20/h4-11,14,17-18,22H,12-13,15-16,19H2,1-3H3,(H,28,29)(H,30,33)