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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(4-phenylmethoxyphenyl)methanethione Openeye Name: (4-benzyloxyphenyl)-(4-ethylpiperazin-4-ium-1-yl)methanethione CAS Name: (4-ethyl-1-piperazin-4-iumyl)-(4-phenylmethoxyphenyl)methanethione IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(4-phenylmethoxyphenyl)methanethione Traditional Name: (4-benzoxyphenyl)-(4-ethylpiperazin-4-ium-1-yl)methanethione Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2OS/c1-2-21-12-14-22(15-13-21)20(24)18-8-10-19(11-9-18)23-16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3/p+1