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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-3-morpholin-4-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5S)-1-allyl-3-(morpholine-4-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-[4-morpholinyl(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-3-(morpholine-4-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-allyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C24H30N5O2S+ MolecularWeight: 452.5923

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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)N5CCOCC5

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)[C@H]3CCC4=C(C3)C(=NN4CC=C)C(=O)N5CCOCC5

InChI

InChI=1S/C24H29N5O2S/c1-3-10-29-20-9-8-17(27(2)16-22-25-19-6-4-5-7-21(19)32-22)15-18(20)23(26-29)24(30)28-11-13-31-14-12-28/h3-7,17H,1,8-16H2,2H3/p+1/t17-/m0/s1