2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[4-(4-morpholin-4-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H22N4O2S/c25-19(14-27-20-22-17-3-1-2-4-18(17)23-20)21-16-7-5-15(6-8-16)13-24-9-11-26-12-10-24/h1-8H,9-14H2,(H,21,25)(H,22,23)/p+1