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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-1-prop-2-enyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5S)-1-allyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-3-[oxo(1-pyrrolidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-1-prop-2-enyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-allyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C24H30N5OS+ MolecularWeight: 436.5929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)C3CCC4=C(C3)C(=NN4CC=C)C(=O)N5CCCC5

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)[C@H]3CCC4=C(C3)C(=NN4CC=C)C(=O)N5CCCC5

InChI

InChI=1S/C24H29N5OS/c1-3-12-29-20-11-10-17(15-18(20)23(26-29)24(30)28-13-6-7-14-28)27(2)16-22-25-19-8-4-5-9-21(19)31-22/h3-5,8-9,17H,1,6-7,10-16H2,2H3/p+1/t17-/m0/s1