dimethyl-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)phenyl]methyl]azanium Openeye Name: dimethyl-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[oxo-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)phenyl]methyl]azanium Traditional Name: dimethyl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)benzyl]ammonium Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)CCCC3

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)CCCC3

InChI

InChI=1S/C17H21N3OS/c1-20(2)11-12-7-9-13(10-8-12)16(21)19-17-18-14-5-3-4-6-15(14)22-17/h7-10H,3-6,11H2,1-2H3,(H,18,19,21)/p+1