N-butylsulfonyl-2-ethyl-6-methyl-1-[(4-phenylphenyl)methyl]benzimidazol-1-ium-1-carboxamide

Systemtic Name: N-butylsulfonyl-2-ethyl-6-methyl-1-[(4-phenylphenyl)methyl]benzimidazol-1-ium-1-carboxamide Openeye Name: N-butylsulfonyl-2-ethyl-6-methyl-1-[(4-phenylphenyl)methyl]benzimidazol-1-ium-1-carboxamide CAS Name: N-butylsulfonyl-2-ethyl-6-methyl-1-[(4-phenylphenyl)methyl]-1-benzimidazol-1-iumcarboxamide IUPAC Name: N-butylsulfonyl-2-ethyl-6-methyl-1-[(4-phenylphenyl)methyl]benzimidazol-1-ium-1-carboxamide Traditional Name: N-butylsulfonyl-2-ethyl-6-methyl-1-(4-phenylbenzyl)benzimidazol-1-ium-1-carboxamide Formula: C28H32N3O3S+ MolecularWeight: 490.63698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(=O)[N+]1(C2=C(C=CC(=C2)C)N=C1CC)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCS(=O)(=O)NC(=O)[N+]1(C2=C(C=CC(=C2)C)N=C1CC)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O3S/c1-4-6-18-35(33,34)30-28(32)31(26-19-21(3)12-17-25(26)29-27(31)5-2)20-22-13-15-24(16-14-22)23-10-8-7-9-11-23/h7-17,19H,4-6,18,20H2,1-3H3/p+1