N-cyclopentyl-4-oxidanylidene-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-cyclopentyl-4-oxidanylidene-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-cyclopentyl-4-oxo-N-[[3-[2-(2-thienyl)ethoxy]phenyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-cyclopentyl-4-oxo-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-cyclopentyl-4-oxo-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-cyclopentyl-4-keto-N-[3-[2-(2-thienyl)ethoxy]benzyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C27H28N3O3S+ MolecularWeight: 474.59452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC(=CC=C2)OCCC3=CC=CS3)C(=O)C4=CNC5=CC=CC=[N+]5C4=O

Isomeric SMILES

C1CCC(C1)N(CC2=CC(=CC=C2)OCCC3=CC=CS3)C(=O)C4=CNC5=CC=CC=[N+]5C4=O

InChI

InChI=1S/C27H27N3O3S/c31-26-24(18-28-25-12-3-4-14-29(25)26)27(32)30(21-8-1-2-9-21)19-20-7-5-10-22(17-20)33-15-13-23-11-6-16-34-23/h3-7,10-12,14,16-18,21H,1-2,8-9,13,15,19H2/p+1