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

Systemtic Name: N-[(1S)-1-naphthalen-1-ylethyl]-2-oxidanylidene-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-pyridine-3-carboxamide Openeye Name: N-[(1S)-1-(1-naphthyl)ethyl]-2-oxo-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-pyridine-3-carboxamide CAS Name: N-[(1S)-1-(1-naphthalenyl)ethyl]-2-oxo-6-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1H-pyridine-3-carboxamide IUPAC Name: N-[(1S)-1-naphthalen-1-ylethyl]-2-oxo-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-pyridine-3-carboxamide Traditional Name: 2-keto-N-[(1S)-1-(1-naphthyl)ethyl]-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-pyridine-3-carboxamide Formula: C28H31N5O2+2 MolecularWeight: 469.57804

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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=[NH+]5

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=[NH+]5

InChI

InChI=1S/C28H29N5O2/c1-20(23-10-6-8-21-7-2-3-9-24(21)23)30-27(34)25-13-12-22(31-28(25)35)19-32-15-17-33(18-16-32)26-11-4-5-14-29-26/h2-14,20H,15-19H2,1H3,(H,30,34)(H,31,35)/p+2/t20-/m0/s1