(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl-methyl-[(2-methylphenyl)methyl]azanium

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl-methyl-(o-tolylmethyl)ammonium CAS Name: [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl-methyl-(2-methylbenzyl)ammonium Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+](C)CC4=CC=CC=C4C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+](C)CC4=CC=CC=C4C

InChI

InChI=1S/C23H30N4O3S/c1-4-27-22-10-9-20(31(28,29)26-11-13-30-14-12-26)15-21(22)24-23(27)17-25(3)16-19-8-6-5-7-18(19)2/h5-10,15H,4,11-14,16-17H2,1-3H3/p+1