dimethyl-[[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]azanium Traditional Name: [4-[(6-mesyl-1,3-benzothiazol-2-yl)carbamoyl]benzyl]-dimethyl-ammonium Formula: C18H20N3O3S2+ MolecularWeight: 390.4997

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H19N3O3S2/c1-21(2)11-12-4-6-13(7-5-12)17(22)20-18-19-15-9-8-14(26(3,23)24)10-16(15)25-18/h4-10H,11H2,1-3H3,(H,19,20,22)/p+1