N-(4-oxidanylcyclohexyl)-2-oxidanylidene-6-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-1H-pyridine-3-carboxamide

Systemtic Name: N-(4-oxidanylcyclohexyl)-2-oxidanylidene-6-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-1H-pyridine-3-carboxamide Openeye Name: N-(4-hydroxycyclohexyl)-2-oxo-6-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-1H-pyridine-3-carboxamide CAS Name: N-(4-hydroxycyclohexyl)-2-oxo-6-[[(4S)-4-phenyl-1-azepan-1-iumyl]methyl]-1H-pyridine-3-carboxamide IUPAC Name: N-(4-hydroxycyclohexyl)-2-oxo-6-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-1H-pyridine-3-carboxamide Traditional Name: N-(4-hydroxycyclohexyl)-2-keto-6-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-1H-pyridine-3-carboxamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC[NH+](C1)CC2=CC=C(C(=O)N2)C(=O)NC3CCC(CC3)O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CC[NH+](C1)CC2=CC=C(C(=O)N2)C(=O)NC3CCC(CC3)O)C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3/c29-22-11-8-20(9-12-22)26-24(30)23-13-10-21(27-25(23)31)17-28-15-4-7-19(14-16-28)18-5-2-1-3-6-18/h1-3,5-6,10,13,19-20,22,29H,4,7-9,11-12,14-17H2,(H,26,30)(H,27,31)/p+1/t19-,20?,22?/m0/s1