4-(4-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(4-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide CAS Name: 4-(4-hydroxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(4-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Formula: C18H29N4O2S+ MolecularWeight: 365.51346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O2S/c23-17-4-2-16(3-5-17)21-8-10-22(11-9-21)18(25)19-6-1-7-20-12-14-24-15-13-20/h2-5,23H,1,6-15H2,(H,19,25)/p+1