(4-methylpiperazin-4-ium-1-yl)-(4-phenylmethoxyphenyl)methanethione

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(4-phenylmethoxyphenyl)methanethione Openeye Name: (4-benzyloxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione CAS Name: (4-methyl-1-piperazin-4-iumyl)-(4-phenylmethoxyphenyl)methanethione IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(4-phenylmethoxyphenyl)methanethione Traditional Name: (4-benzoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Formula: C19H23N2OS+ MolecularWeight: 327.46372

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C19H22N2OS/c1-20-11-13-21(14-12-20)19(23)17-7-9-18(10-8-17)22-15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3/p+1