4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H24N4O2S/c26-20(22-9-10-25-11-13-27-14-12-25)17-7-5-16(6-8-17)15-28-21-23-18-3-1-2-4-19(18)24-21/h1-8H,9-15H2,(H,22,26)(H,23,24)/p+1