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

Systemtic Name: 3-phenylpropyl-[(5R)-1-prop-2-enyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5R)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-phenylpropyl)ammonium CAS Name: [(5R)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-(3-phenylpropyl)ammonium IUPAC Name: 3-phenylpropyl-[(5R)-1-prop-2-enyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5R)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-phenylpropyl)ammonium Formula: C24H33N4OS+ MolecularWeight: 425.61002

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]CCCC3=CC=CC=C3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH2+]CCCC3=CC=CC=C3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C24H32N4OS/c1-2-13-28-22-11-10-20(25-12-6-9-19-7-4-3-5-8-19)18-21(22)23(26-28)24(29)27-14-16-30-17-15-27/h2-5,7-8,20,25H,1,6,9-18H2/p+1/t20-/m1/s1