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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-1-ethyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-1-ethyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-1-ethyl-3-[oxo(1-pyrrolidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-1-ethyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-1-ethyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH2+]CC3=NC4=CC=CC=C4S3)C(=N1)C(=O)N5CCCC5

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH2+]CC3=NC4=CC=CC=C4S3)C(=N1)C(=O)N5CCCC5

InChI

InChI=1S/C22H27N5OS/c1-2-27-18-10-9-15(23-14-20-24-17-7-3-4-8-19(17)29-20)13-16(18)21(25-27)22(28)26-11-5-6-12-26/h3-4,7-8,15,23H,2,5-6,9-14H2,1H3/p+1/t15-/m1/s1