[(5R)-1-prop-2-enyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(5R)-1-prop-2-enyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [(5R)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [(5R)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(5R)-1-prop-2-enyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [(5R)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C22H37N5OS+2 MolecularWeight: 419.62708

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]CCC[NH+]3CCCC3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH2+]CCC[NH+]3CCCC3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C22H35N5OS/c1-2-9-27-20-7-6-18(23-8-5-12-25-10-3-4-11-25)17-19(20)21(24-27)22(28)26-13-15-29-16-14-26/h2,18,23H,1,3-17H2/p+2/t18-/m1/s1