N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-methyl-N-[(3-methyl-2-thienyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-methyl-N-[(3-methyl-2-thiophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-keto-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]acetamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(C)C(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=C(SC=C1)CN(C)C(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H26N4O2S/c1-15-9-12-28-19(15)13-23(2)20(26)14-24-10-7-16(8-11-24)25-18-6-4-3-5-17(18)22-21(25)27/h3-6,9,12,16H,7-8,10-11,13-14H2,1-2H3,(H,22,27)/p+1