ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-(furan-2-ylmethyl)piperidin-1-ium-1-carboxylate

Systemtic Name: ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-(furan-2-ylmethyl)piperidin-1-ium-1-carboxylate Openeye Name: ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-(2-furylmethyl)piperidin-1-ium-1-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylmethyl)-4-(2-furanylmethyl)-1-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-(furan-2-ylmethyl)piperidin-1-ium-1-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylmethyl)-4-(2-furfuryl)piperidin-1-ium-1-carboxylic acid ethyl ester Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCC(CC1)CC2=CC=CO2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)[N+]1(CCC(CC1)CC2=CC=CO2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H26N3O3/c1-2-26-21(25)24(15-20-22-18-7-3-4-8-19(18)23-20)11-9-16(10-12-24)14-17-6-5-13-27-17/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,22,23)/q+1