2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(pyridin-1-ium-3-ylmethyl)butanamide

Systemtic Name: 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(pyridin-1-ium-3-ylmethyl)butanamide Openeye Name: 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(pyridin-1-ium-3-ylmethyl)butanamide CAS Name: 2-(6-benzimidazolo[1,2-c]quinazolinylthio)-N-(3-pyridin-1-iumylmethyl)butanamide IUPAC Name: 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(pyridin-1-ium-3-ylmethyl)butanamide Traditional Name: 2-(benzimidazolo[1,2-c]quinazolin-6-ylthio)-N-(pyridin-1-ium-3-ylmethyl)butyramide Formula: C24H22N5OS+ MolecularWeight: 428.52938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=C[NH+]=CC=C1)SC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42

Isomeric SMILES

CCC(C(=O)NCC1=C[NH+]=CC=C1)SC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42

InChI

InChI=1S/C24H21N5OS/c1-2-21(23(30)26-15-16-8-7-13-25-14-16)31-24-28-18-10-4-3-9-17(18)22-27-19-11-5-6-12-20(19)29(22)24/h3-14,21H,2,15H2,1H3,(H,26,30)/p+1