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

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

Isomeric SMILES

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

InChI

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