4-(4-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide CAS Name: 4-(4-hydroxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Formula: C17H27N4O2S+ MolecularWeight: 351.48688

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)N2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)N2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C17H26N4O2S/c22-16-3-1-15(2-4-16)20-7-9-21(10-8-20)17(24)18-5-6-19-11-13-23-14-12-19/h1-4,22H,5-14H2,(H,18,24)/p+1