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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-1-methyl-3-[oxo-(phenethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C25H28N5OS+ MolecularWeight: 446.58772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CC3=NC4=CC=CC=C4S3)C(=N1)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]CC3=NC4=CC=CC=C4S3)C(=N1)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C25H27N5OS/c1-30-21-12-11-18(27-16-23-28-20-9-5-6-10-22(20)32-23)15-19(21)24(29-30)25(31)26-14-13-17-7-3-2-4-8-17/h2-10,18,27H,11-16H2,1H3,(H,26,31)/p+1/t18-/m1/s1