N3-cycloheptyl-4-oxidanylidene-1-propan-2-yl-N5-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3,5-dicarboxamide

Systemtic Name: N3-cycloheptyl-4-oxidanylidene-1-propan-2-yl-N5-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3,5-dicarboxamide Openeye Name: N3-cycloheptyl-1-isopropyl-4-oxo-N5-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3,5-dicarboxamide CAS Name: N3-cycloheptyl-4-oxo-1-propan-2-yl-N5-[2-(1-pyrrolidin-1-iumyl)ethyl]pyridine-3,5-dicarboxamide IUPAC Name: 3-N-cycloheptyl-4-oxo-1-propan-2-yl-5-N-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3,5-dicarboxamide Traditional Name: N-cycloheptyl-1-isopropyl-4-keto-N'-(2-pyrrolidin-1-ium-1-ylethyl)dinicotinamide Formula: C23H37N4O3+ MolecularWeight: 417.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=O)C(=C1)C(=O)NC2CCCCCC2)C(=O)NCC[NH+]3CCCC3

Isomeric SMILES

CC(C)N1C=C(C(=O)C(=C1)C(=O)NC2CCCCCC2)C(=O)NCC[NH+]3CCCC3

InChI

InChI=1S/C23H36N4O3/c1-17(2)27-15-19(22(29)24-11-14-26-12-7-8-13-26)21(28)20(16-27)23(30)25-18-9-5-3-4-6-10-18/h15-18H,3-14H2,1-2H3,(H,24,29)(H,25,30)/p+1