N-cyclopentyl-2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-cyclopentyl-2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-cyclopentyl-2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-cyclopentyl-2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-cyclopentyl-2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-cyclopentyl-2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3CCCC3

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3CCCC3

InChI

InChI=1S/C16H21N3O2S/c1-2-21-12-7-8-13-14(9-12)19-16(18-13)22-10-15(20)17-11-5-3-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,17,20)(H,18,19)/p+1