2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]ethanamide Openeye Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide CAS Name: 2-[(6-methyl-1H-benzimidazol-2-yl)thio]-N-[4-(4-morpholin-4-iumylmethyl)phenyl]acetamide IUPAC Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Traditional Name: 2-[(6-methyl-1H-benzimidazol-2-yl)thio]-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C21H24N4O2S/c1-15-2-7-18-19(12-15)24-21(23-18)28-14-20(26)22-17-5-3-16(4-6-17)13-25-8-10-27-11-9-25/h2-7,12H,8-11,13-14H2,1H3,(H,22,26)(H,23,24)/p+1