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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(5S)-3-(dimethylcarbamoyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-methyl-azanium Openeye Name: [(5S)-1-allyl-3-(dimethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(5S)-3-[dimethylamino(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(5S)-3-(dimethylcarbamoyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-methylazanium Traditional Name: [(5S)-1-allyl-3-(dimethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5OS/c1-5-12-27-18-11-10-15(13-16(18)21(24-27)22(28)25(2)3)26(4)14-20-23-17-8-6-7-9-19(17)29-20/h5-9,15H,1,10-14H2,2-4H3/p+1/t15-/m0/s1