N5-(3-methylbutyl)-1-(2-methylpropyl)-4-oxidanylidene-N3-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]pyridine-3,5-dicarboxamide

Systemtic Name: N5-(3-methylbutyl)-1-(2-methylpropyl)-4-oxidanylidene-N3-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]pyridine-3,5-dicarboxamide Openeye Name: 1-isobutyl-N5-isopentyl-4-oxo-N3-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]pyridine-3,5-dicarboxamide CAS Name: N5-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-N3-[2-(4-phenyl-1-piperidin-1-iumyl)ethyl]pyridine-3,5-dicarboxamide IUPAC Name: 5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]pyridine-3,5-dicarboxamide Traditional Name: N'-isoamyl-1-isobutyl-4-keto-N-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]dinicotinamide Formula: C29H43N4O3+ MolecularWeight: 495.67672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)NCC[NH+]2CCC(CC2)C3=CC=CC=C3)CC(C)C

Isomeric SMILES

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)NCC[NH+]2CCC(CC2)C3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C29H42N4O3/c1-21(2)10-13-30-28(35)25-19-33(18-22(3)4)20-26(27(25)34)29(36)31-14-17-32-15-11-24(12-16-32)23-8-6-5-7-9-23/h5-9,19-22,24H,10-18H2,1-4H3,(H,30,35)(H,31,36)/p+1