[4-[(1,3-benzothiazol-2-ylcarbamoylamino)methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[(1,3-benzothiazol-2-ylcarbamoylamino)methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[(1,3-benzothiazol-2-ylcarbamoylamino)methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[(1,3-benzothiazol-2-ylcarbamoylamino)methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[(1,3-benzothiazol-2-ylcarbamoylamino)methyl]benzyl]-dimethyl-ammonium Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H20N4OS/c1-22(2)12-14-9-7-13(8-10-14)11-19-17(23)21-18-20-15-5-3-4-6-16(15)24-18/h3-10H,11-12H2,1-2H3,(H2,19,20,21,23)/p+1