[2-[(1-methylpiperazin-1-ium-1-yl)methyl]-6-phenylsulfanyl-phenyl]methanol

Systemtic Name: [2-[(1-methylpiperazin-1-ium-1-yl)methyl]-6-phenylsulfanyl-phenyl]methanol Openeye Name: [2-[(1-methylpiperazin-1-ium-1-yl)methyl]-6-phenylsulfanyl-phenyl]methanol CAS Name: [2-[(1-methyl-1-piperazin-1-iumyl)methyl]-6-(phenylthio)phenyl]methanol IUPAC Name: [2-[(1-methylpiperazin-1-ium-1-yl)methyl]-6-phenylsulfanylphenyl]methanol Traditional Name: [2-[(1-methylpiperazin-1-ium-1-yl)methyl]-6-(phenylthio)phenyl]methanol Formula: C19H25N2OS+ MolecularWeight: 329.4796

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CC2=C(C(=CC=C2)SC3=CC=CC=C3)CO

Isomeric SMILES

C[N+]1(CCNCC1)CC2=C(C(=CC=C2)SC3=CC=CC=C3)CO

InChI

InChI=1S/C19H25N2OS/c1-21(12-10-20-11-13-21)14-16-6-5-9-19(18(16)15-22)23-17-7-3-2-4-8-17/h2-9,20,22H,10-15H2,1H3/q+1