(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl-(2-methylbutan-2-yl)azanium

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl-(2-methylbutan-2-yl)azanium Openeye Name: 1,1-dimethylpropyl-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]ammonium CAS Name: [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl-(2-methylbutan-2-yl)ammonium IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl-(2-methylbutan-2-yl)azanium Traditional Name: tert-amyl-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]ammonium Formula: C19H31N4O3S+ MolecularWeight: 395.53944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)[NH2+]CC1=NC2=C(N1CC)C=CC(=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC(C)(C)[NH2+]CC1=NC2=C(N1CC)C=CC(=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H30N4O3S/c1-5-19(3,4)20-14-18-21-16-13-15(7-8-17(16)23(18)6-2)27(24,25)22-9-11-26-12-10-22/h7-8,13,20H,5-6,9-12,14H2,1-4H3/p+1