1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-1-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-1-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-1-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-1-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-1-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-1-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C19H24N5OS+ MolecularWeight: 370.49176

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C2=C1CC(CC2)[NH+](C)CC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CNC(=O)C1=NN(C2=C1C[C@H](CC2)[NH+](C)CC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C19H23N5OS/c1-20-19(25)18-13-10-12(8-9-15(13)24(3)22-18)23(2)11-17-21-14-6-4-5-7-16(14)26-17/h4-7,12H,8-11H2,1-3H3,(H,20,25)/p+1/t12-/m0/s1