1,3-benzothiazol-2-ylmethyl-[(5R)-3-piperidin-1-ylcarbonyl-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-3-piperidin-1-ylcarbonyl-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-3-(piperidine-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-3-[oxo(1-piperidinyl)methyl]-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-3-(piperidine-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-3-(piperidine-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C24H32N5OS+ MolecularWeight: 438.60878

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CC(CC2)[NH2+]CC3=NC4=CC=CC=C4S3)C(=N1)C(=O)N5CCCCC5

Isomeric SMILES

CCCN1C2=C(C[C@@H](CC2)[NH2+]CC3=NC4=CC=CC=C4S3)C(=N1)C(=O)N5CCCCC5

InChI

InChI=1S/C24H31N5OS/c1-2-12-29-20-11-10-17(25-16-22-26-19-8-4-5-9-21(19)31-22)15-18(20)23(27-29)24(30)28-13-6-3-7-14-28/h4-5,8-9,17,25H,2-3,6-7,10-16H2,1H3/p+1/t17-/m1/s1