N-[2-cyclobutyl-1-methyl-7-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzimidazol-5-yl]-2-methoxy-ethanamide

Systemtic Name: N-[2-cyclobutyl-1-methyl-7-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzimidazol-5-yl]-2-methoxy-ethanamide Openeye Name: N-[2-cyclobutyl-1-methyl-7-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]benzimidazol-5-yl]-2-methoxy-acetamide CAS Name: N-[2-cyclobutyl-1-methyl-7-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-5-benzimidazolyl]-2-methoxyacetamide IUPAC Name: N-[2-cyclobutyl-1-methyl-7-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide Traditional Name: N-[2-cyclobutyl-1-methyl-7-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]benzimidazol-5-yl]-2-methoxy-acetamide Formula: C25H32N5O3S+ MolecularWeight: 482.61828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=CC(=C2)NC(=O)COC)C(=O)N3CC[NH+](CC3)CC4=CSC=C4)C5CCC5

Isomeric SMILES

CN1C(=NC2=C1C(=CC(=C2)NC(=O)COC)C(=O)N3CC[NH+](CC3)CC4=CSC=C4)C5CCC5

InChI

InChI=1S/C25H31N5O3S/c1-28-23-20(25(32)30-9-7-29(8-10-30)14-17-6-11-34-16-17)12-19(26-22(31)15-33-2)13-21(23)27-24(28)18-4-3-5-18/h6,11-13,16,18H,3-5,7-10,14-15H2,1-2H3,(H,26,31)/p+1