bis(prop-2-enyl)-[(5S)-1-prop-2-enyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: bis(prop-2-enyl)-[(5S)-1-prop-2-enyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: diallyl-[(5S)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: [(5S)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-bis(prop-2-enyl)ammonium IUPAC Name: bis(prop-2-enyl)-[(5S)-1-prop-2-enyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: diallyl-[(5S)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H31N4OS+ MolecularWeight: 387.56204

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH+](CC=C)CC=C)C(=N1)C(=O)N3CCSCC3

Isomeric SMILES

C=CCN1C2=C(C[C@H](CC2)[NH+](CC=C)CC=C)C(=N1)C(=O)N3CCSCC3

InChI

InChI=1S/C21H30N4OS/c1-4-9-23(10-5-2)17-7-8-19-18(16-17)20(22-25(19)11-6-3)21(26)24-12-14-27-15-13-24/h4-6,17H,1-3,7-16H2/p+1/t17-/m0/s1