ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-(1,3-thiazol-4-ylmethyl)piperidin-1-ium-1-carboxylate

Systemtic Name: ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-(1,3-thiazol-4-ylmethyl)piperidin-1-ium-1-carboxylate Openeye Name: ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-(thiazol-4-ylmethyl)piperidin-1-ium-1-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylmethyl)-4-(4-thiazolylmethyl)-1-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-(1,3-thiazol-4-ylmethyl)piperidin-1-ium-1-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylmethyl)-4-(thiazol-4-ylmethyl)piperidin-1-ium-1-carboxylic acid ethyl ester Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCC(CC1)CC2=CSC=N2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)[N+]1(CCC(CC1)CC2=CSC=N2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H25N4O2S/c1-2-26-20(25)24(12-19-22-17-5-3-4-6-18(17)23-19)9-7-15(8-10-24)11-16-13-27-14-21-16/h3-6,13-15H,2,7-12H2,1H3,(H,22,23)/q+1