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

Systemtic Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxidanylidene-6-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-1H-pyridine-3-carboxamide Openeye Name: N-[(1-morpholinocyclohexyl)methyl]-2-oxo-6-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-1H-pyridine-3-carboxamide CAS Name: N-[[1-(4-morpholinyl)cyclohexyl]methyl]-2-oxo-6-[[(4S)-4-phenyl-1-azepan-1-iumyl]methyl]-1H-pyridine-3-carboxamide IUPAC Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-1H-pyridine-3-carboxamide Traditional Name: 2-keto-N-[(1-morpholinocyclohexyl)methyl]-6-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-1H-pyridine-3-carboxamide Formula: C30H43N4O3+ MolecularWeight: 507.68742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC=C(NC2=O)C[NH+]3CCCC(CC3)C4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC=C(NC2=O)C[NH+]3CCC[C@@H](CC3)C4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C30H42N4O3/c35-28(31-23-30(14-5-2-6-15-30)34-18-20-37-21-19-34)27-12-11-26(32-29(27)36)22-33-16-7-10-25(13-17-33)24-8-3-1-4-9-24/h1,3-4,8-9,11-12,25H,2,5-7,10,13-23H2,(H,31,35)(H,32,36)/p+1/t25-/m0/s1