(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-(phenylmethyl)-prop-2-enyl-azanium

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-(phenylmethyl)-prop-2-enyl-azanium Openeye Name: allyl-benzyl-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]ammonium CAS Name: (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl-(phenylmethyl)-prop-2-enylammonium IUPAC Name: benzyl-[(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl]-prop-2-enylazanium Traditional Name: allyl-benzyl-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]ammonium Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](CC=C)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](CC=C)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2S/c1-3-5-14-26-21-12-11-19(29(23,27)28)15-20(21)24-22(26)17-25(13-4-2)16-18-9-7-6-8-10-18/h4,6-12,15H,2-3,5,13-14,16-17H2,1H3,(H2,23,27,28)/p+1