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

Systemtic Name: cyclopropylmethyl-[(5S)-1-prop-2-enyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-propyl-azanium Openeye Name: [(5S)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(cyclopropylmethyl)-propyl-ammonium CAS Name: cyclopropylmethyl-[(5S)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-propylammonium IUPAC Name: cyclopropylmethyl-[(5S)-1-prop-2-enyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-propylazanium Traditional Name: [(5S)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(cyclopropylmethyl)-propyl-ammonium Formula: C22H35N4OS+ MolecularWeight: 403.6045

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1CC1)C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCSCC4

Isomeric SMILES

CCC[NH+](CC1CC1)[C@H]2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCSCC4

InChI

InChI=1S/C22H34N4OS/c1-3-9-25(16-17-5-6-17)18-7-8-20-19(15-18)21(23-26(20)10-4-2)22(27)24-11-13-28-14-12-24/h4,17-18H,2-3,5-16H2,1H3/p+1/t18-/m0/s1