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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C26H30N5OS+ MolecularWeight: 460.6143

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C2=C1CC(CC2)[NH+](C)CC3=NC4=CC=CC=C4S3)CCC5=CC=CC=C5

Isomeric SMILES

CNC(=O)C1=NN(C2=C1C[C@H](CC2)[NH+](C)CC3=NC4=CC=CC=C4S3)CCC5=CC=CC=C5

InChI

InChI=1S/C26H29N5OS/c1-27-26(32)25-20-16-19(30(2)17-24-28-21-10-6-7-11-23(21)33-24)12-13-22(20)31(29-25)15-14-18-8-4-3-5-9-18/h3-11,19H,12-17H2,1-2H3,(H,27,32)/p+1/t19-/m0/s1