2-[(2S)-4-[(4-methylsulfanylphenyl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(4-methylsulfanylphenyl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropylpiperidin-1-ium-4-yl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[4-(methylthio)phenyl]methyl]-1-(1-propan-2-yl-4-piperidin-1-iumyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-methylsulfanylphenyl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropylpiperidin-1-ium-4-yl)-4-[4-(methylthio)benzyl]piperazin-4-ium-2-yl]ethanol Formula: C22H39N3OS+2 MolecularWeight: 393.62956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)N2CC[NH+](CC2CCO)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N2CC[NH+](C[C@@H]2CCO)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H37N3OS/c1-18(2)24-11-8-20(9-12-24)25-14-13-23(17-21(25)10-15-26)16-19-4-6-22(27-3)7-5-19/h4-7,18,20-21,26H,8-17H2,1-3H3/p+2/t21-/m0/s1