ethyl 3-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-1-ethyl-2-sulfanylidene-benzimidazole-5-carboxylate

Systemtic Name: ethyl 3-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-1-ethyl-2-sulfanylidene-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-1-ethyl-2-thioxo-benzimidazole-5-carboxylate CAS Name: 3-[(4-ethoxycarbonyl-1-piperidin-1-iumyl)methyl]-1-ethyl-2-sulfanylidene-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-1-ethyl-2-sulfanylidenebenzimidazole-5-carboxylate Traditional Name: 3-[(4-carbethoxypiperidin-1-ium-1-yl)methyl]-1-ethyl-2-thioxo-benzimidazole-5-carboxylic acid ethyl ester Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)C[NH+]3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)C[NH+]3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C21H29N3O4S/c1-4-23-17-8-7-16(20(26)28-6-3)13-18(17)24(21(23)29)14-22-11-9-15(10-12-22)19(25)27-5-2/h7-8,13,15H,4-6,9-12,14H2,1-3H3/p+1