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

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-[(2S)-butan-2-yl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-[(1S)-1-methylpropyl]-4-oxo-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-[(2S)-butan-2-yl]-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-[(2S)-butan-2-yl]-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-4-keto-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-[(1S)-1-methylpropyl]nicotinamide Formula: C25H41N4O4+ MolecularWeight: 461.61744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC(C)(C)[NH+]3CCOCC3

Isomeric SMILES

CC[C@H](C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC(C)(C)[NH+]3CCOCC3

InChI

InChI=1S/C25H40N4O4/c1-5-19(2)28-16-20(23(31)26-18-25(3,4)29-12-14-33-15-13-29)22(30)21(17-28)24(32)27-10-8-6-7-9-11-27/h16-17,19H,5-15,18H2,1-4H3,(H,26,31)/p+1/t19-/m0/s1