6-azanyl-N-butylsulfonyl-1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-ethyl-benzimidazol-1-ium-1-carboxamide

Systemtic Name: 6-azanyl-N-butylsulfonyl-1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-ethyl-benzimidazol-1-ium-1-carboxamide Openeye Name: 6-amino-N-butylsulfonyl-1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-ethyl-benzimidazol-1-ium-1-carboxamide CAS Name: 6-amino-N-butylsulfonyl-1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-ethyl-1-benzimidazol-1-iumcarboxamide IUPAC Name: 6-amino-N-butylsulfonyl-1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-ethylbenzimidazol-1-ium-1-carboxamide Traditional Name: 6-amino-N-butylsulfonyl-1-[4-(3,4-dichlorobenzyl)oxybenzyl]-2-ethyl-benzimidazol-1-ium-1-carboxamide Formula: C28H31Cl2N4O4S+ MolecularWeight: 590.54114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(=O)[N+]1(C2=C(C=CC(=C2)N)N=C1CC)CC3=CC=C(C=C3)OCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCCCS(=O)(=O)NC(=O)[N+]1(C2=C(C=CC(=C2)N)N=C1CC)CC3=CC=C(C=C3)OCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C28H30Cl2N4O4S/c1-3-5-14-39(36,37)33-28(35)34(26-16-21(31)9-13-25(26)32-27(34)4-2)17-19-6-10-22(11-7-19)38-18-20-8-12-23(29)24(30)15-20/h6-13,15-16H,3-5,14,17-18,31H2,1-2H3/p+1