2-(4-ethoxyphenyl)carbonyl-N,N-diethyl-1-(3-methylbutyl)benzimidazol-1-ium-1-carboxamide

Systemtic Name: 2-(4-ethoxyphenyl)carbonyl-N,N-diethyl-1-(3-methylbutyl)benzimidazol-1-ium-1-carboxamide Openeye Name: 2-(4-ethoxybenzoyl)-N,N-diethyl-1-isopentyl-benzimidazol-1-ium-1-carboxamide CAS Name: 2-[(4-ethoxyphenyl)-oxomethyl]-N,N-diethyl-1-(3-methylbutyl)-1-benzimidazol-1-iumcarboxamide IUPAC Name: 2-(4-ethoxybenzoyl)-N,N-diethyl-1-(3-methylbutyl)benzimidazol-1-ium-1-carboxamide Traditional Name: 2-(4-ethoxybenzoyl)-N,N-diethyl-1-isoamyl-benzimidazol-1-ium-1-carboxamide Formula: C26H34N3O3+ MolecularWeight: 436.56646

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)[N+]1(C2=CC=CC=C2N=C1C(=O)C3=CC=C(C=C3)OCC)CCC(C)C

Isomeric SMILES

CCN(CC)C(=O)[N+]1(C2=CC=CC=C2N=C1C(=O)C3=CC=C(C=C3)OCC)CCC(C)C

InChI

InChI=1S/C26H34N3O3/c1-6-28(7-2)26(31)29(18-17-19(4)5)23-12-10-9-11-22(23)27-25(29)24(30)20-13-15-21(16-14-20)32-8-3/h9-16,19H,6-8,17-18H2,1-5H3/q+1