(4-ethylpiperazin-4-ium-1-yl)-(3-hydroxyphenyl)methanethione

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(3-hydroxyphenyl)methanethione Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(3-hydroxyphenyl)methanethione CAS Name: (4-ethyl-1-piperazin-4-iumyl)-(3-hydroxyphenyl)methanethione IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(3-hydroxyphenyl)methanethione Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(3-hydroxyphenyl)methanethione Formula: C13H19N2OS+ MolecularWeight: 251.36776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2OS/c1-2-14-6-8-15(9-7-14)13(17)11-4-3-5-12(16)10-11/h3-5,10,16H,2,6-9H2,1H3/p+1