N5-(3-methylbutyl)-1-(2-methylpropyl)-4-oxidanylidene-N3-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3,5-dicarboxamide

Systemtic Name: N5-(3-methylbutyl)-1-(2-methylpropyl)-4-oxidanylidene-N3-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3,5-dicarboxamide Openeye Name: 1-isobutyl-N5-isopentyl-4-oxo-N3-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3,5-dicarboxamide CAS Name: N5-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-N3-[2-(1-pyrrolidin-1-iumyl)ethyl]pyridine-3,5-dicarboxamide IUPAC Name: 5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3,5-dicarboxamide Traditional Name: N'-isoamyl-1-isobutyl-4-keto-N-(2-pyrrolidin-1-ium-1-ylethyl)dinicotinamide Formula: C22H37N4O3+ MolecularWeight: 405.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)NCC[NH+]2CCCC2)CC(C)C

Isomeric SMILES

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)NCC[NH+]2CCCC2)CC(C)C

InChI

InChI=1S/C22H36N4O3/c1-16(2)7-8-23-21(28)18-14-26(13-17(3)4)15-19(20(18)27)22(29)24-9-12-25-10-5-6-11-25/h14-17H,5-13H2,1-4H3,(H,23,28)(H,24,29)/p+1