N5-(3-methylbutyl)-N3-(1-methylpiperidin-1-ium-4-yl)-1-(2-methylpropyl)-4-oxidanylidene-N3-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide

Systemtic Name: N5-(3-methylbutyl)-N3-(1-methylpiperidin-1-ium-4-yl)-1-(2-methylpropyl)-4-oxidanylidene-N3-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide Openeye Name: 1-isobutyl-N5-isopentyl-N3-(1-methylpiperidin-1-ium-4-yl)-4-oxo-N3-(4-pyridylmethyl)pyridine-3,5-dicarboxamide CAS Name: N5-(3-methylbutyl)-N3-(1-methyl-4-piperidin-1-iumyl)-1-(2-methylpropyl)-4-oxo-N3-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide IUPAC Name: 5-N-(3-methylbutyl)-3-N-(1-methylpiperidin-1-ium-4-yl)-1-(2-methylpropyl)-4-oxo-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide Traditional Name: N'-isoamyl-1-isobutyl-4-keto-N-(1-methylpiperidin-1-ium-4-yl)-N-(4-pyridylmethyl)dinicotinamide Formula: C28H42N5O3+ MolecularWeight: 496.66478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N(CC2=CC=NC=C2)C3CC[NH+](CC3)C)CC(C)C

Isomeric SMILES

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N(CC2=CC=NC=C2)C3CC[NH+](CC3)C)CC(C)C

InChI

InChI=1S/C28H41N5O3/c1-20(2)6-13-30-27(35)24-18-32(16-21(3)4)19-25(26(24)34)28(36)33(17-22-7-11-29-12-8-22)23-9-14-31(5)15-10-23/h7-8,11-12,18-21,23H,6,9-10,13-17H2,1-5H3,(H,30,35)/p+1