5-(azepan-1-ylcarbonyl)-1-[(2S)-butan-2-yl]-4-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-[(2S)-butan-2-yl]-4-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-(1-benzylpiperidin-1-ium-4-yl)-1-[(1S)-1-methylpropyl]-4-oxo-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-[(2S)-butan-2-yl]-4-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-(1-benzylpiperidin-1-ium-4-yl)-1-[(2S)-butan-2-yl]-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-N-(1-benzylpiperidin-1-ium-4-yl)-4-keto-1-[(1S)-1-methylpropyl]nicotinamide Formula: C29H41N4O3+ MolecularWeight: 493.66084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC[C@H](C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H40N4O3/c1-3-22(2)33-20-25(27(34)26(21-33)29(36)32-15-9-4-5-10-16-32)28(35)30-24-13-17-31(18-14-24)19-23-11-7-6-8-12-23/h6-8,11-12,20-22,24H,3-5,9-10,13-19H2,1-2H3,(H,30,35)/p+1/t22-/m0/s1