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

Systemtic Name: 1-(3-methylbutyl)-N3-(2-methylpropyl)-4-oxidanylidene-N5-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3,5-dicarboxamide Openeye Name: N3-isobutyl-1-isopentyl-4-oxo-N5-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3,5-dicarboxamide CAS Name: 1-(3-methylbutyl)-N3-(2-methylpropyl)-4-oxo-N5-[2-(1-pyrrolidin-1-iumyl)ethyl]pyridine-3,5-dicarboxamide IUPAC Name: 1-(3-methylbutyl)-3-N-(2-methylpropyl)-4-oxo-5-N-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3,5-dicarboxamide Traditional Name: 1-isoamyl-N-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)CCN1C=C(C(=O)C(=C1)C(=O)NCC(C)C)C(=O)NCC[NH+]2CCCC2

Isomeric SMILES

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)NCC(C)C)C(=O)NCC[NH+]2CCCC2

InChI

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