N-[(1S)-1-naphthalen-1-ylethyl]-2-oxidanylidene-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-pyridine-3-carboxamide

Systemtic Name: N-[(1S)-1-naphthalen-1-ylethyl]-2-oxidanylidene-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-pyridine-3-carboxamide Openeye Name: N-[(1S)-1-(1-naphthyl)ethyl]-2-oxo-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-pyridine-3-carboxamide CAS Name: N-[(1S)-1-(1-naphthalenyl)ethyl]-2-oxo-6-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-pyridine-3-carboxamide IUPAC Name: N-[(1S)-1-naphthalen-1-ylethyl]-2-oxo-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-pyridine-3-carboxamide Traditional Name: 2-keto-N-[(1S)-1-(1-naphthyl)ethyl]-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-pyridine-3-carboxamide Formula: C29H31N4O2+ MolecularWeight: 467.58204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC=C(NC3=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC=C(NC3=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2/c1-21(25-13-7-9-22-8-5-6-12-26(22)25)30-28(34)27-15-14-23(31-29(27)35)20-32-16-18-33(19-17-32)24-10-3-2-4-11-24/h2-15,21H,16-20H2,1H3,(H,30,34)(H,31,35)/p+1/t21-/m0/s1