[(5S)-1-methyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-(3-methylsulfanylpropyl)azanium

Systemtic Name: [(5S)-1-methyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-(3-methylsulfanylpropyl)azanium Openeye Name: [(5S)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-methylsulfanylpropyl)ammonium CAS Name: [(5S)-1-methyl-3-[oxo(1-piperidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-[3-(methylthio)propyl]ammonium IUPAC Name: [(5S)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-methylsulfanylpropyl)azanium Traditional Name: [(5S)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[3-(methylthio)propyl]ammonium Formula: C18H31N4OS+ MolecularWeight: 351.52994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CCCSC)C(=N1)C(=O)N3CCCCC3

Isomeric SMILES

CN1C2=C(C[C@H](CC2)[NH2+]CCCSC)C(=N1)C(=O)N3CCCCC3

InChI

InChI=1S/C18H30N4OS/c1-21-16-8-7-14(19-9-6-12-24-2)13-15(16)17(20-21)18(23)22-10-4-3-5-11-22/h14,19H,3-13H2,1-2H3/p+1/t14-/m0/s1