ethyl 1-[[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H25ClN3O3+ MolecularWeight: 366.8624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=NC3=C(N2CCO)C=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=NC3=C(N2CCO)C=C(C=C3)Cl

InChI

InChI=1S/C18H24ClN3O3/c1-2-25-18(24)13-5-7-21(8-6-13)12-17-20-15-4-3-14(19)11-16(15)22(17)9-10-23/h3-4,11,13,23H,2,5-10,12H2,1H3/p+1