piperidin-1-yl-[(5R)-1-prop-2-enyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: piperidin-1-yl-[(5R)-1-prop-2-enyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [(5R)-1-allyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]-(1-piperidyl)methanone CAS Name: 1-piperidinyl-[(5R)-1-prop-2-enyl-5-(4-thiomorpholin-4-iumyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: piperidin-1-yl-[(5R)-1-prop-2-enyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [(5R)-1-allyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]-piperidino-methanone Formula: C20H31N4OS+ MolecularWeight: 375.55134

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH+]3CCSCC3)C(=N1)C(=O)N4CCCCC4

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH+]3CCSCC3)C(=N1)C(=O)N4CCCCC4

InChI

InChI=1S/C20H30N4OS/c1-2-8-24-18-7-6-16(22-11-13-26-14-12-22)15-17(18)19(21-24)20(25)23-9-4-3-5-10-23/h2,16H,1,3-15H2/p+1/t16-/m1/s1