ethyl 1-ethyl-2-methyl-3-(naphthalen-1-ylmethyl)benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-(naphthalen-1-ylmethyl)benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-(1-naphthylmethyl)benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-(1-naphthalenylmethyl)-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-(naphthalen-1-ylmethyl)benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-2-methyl-3-(1-naphthylmethyl)benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C24H25N2O2+ MolecularWeight: 373.4675

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C24H25N2O2/c1-4-25-17(3)26(16-20-11-8-10-18-9-6-7-12-21(18)20)23-15-19(13-14-22(23)25)24(27)28-5-2/h6-15H,4-5,16H2,1-3H3/q+1