3-butyl-1-ethyl-2-methyl-N-phenyl-benzimidazol-1-ium-5-carboxamide

Systemtic Name: 3-butyl-1-ethyl-2-methyl-N-phenyl-benzimidazol-1-ium-5-carboxamide Openeye Name: 3-butyl-1-ethyl-2-methyl-N-phenyl-benzimidazol-1-ium-5-carboxamide CAS Name: 3-butyl-1-ethyl-2-methyl-N-phenyl-5-benzimidazol-1-iumcarboxamide IUPAC Name: 3-butyl-1-ethyl-2-methyl-N-phenylbenzimidazol-1-ium-5-carboxamide Traditional Name: 3-butyl-1-ethyl-2-methyl-N-phenyl-benzimidazol-1-ium-5-carboxamide Formula: C21H26N3O+ MolecularWeight: 336.45064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=[N+](C2=C1C=C(C=C2)C(=O)NC3=CC=CC=C3)CC)C

Isomeric SMILES

CCCCN1C(=[N+](C2=C1C=C(C=C2)C(=O)NC3=CC=CC=C3)CC)C

InChI

InChI=1S/C21H25N3O/c1-4-6-14-24-16(3)23(5-2)19-13-12-17(15-20(19)24)21(25)22-18-10-8-7-9-11-18/h7-13,15H,4-6,14H2,1-3H3/p+1