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

Systemtic Name: 4-(4-ethanoylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Formula: C19H29N4O2S+ MolecularWeight: 377.52416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H28N4O2S/c1-16(24)17-2-4-18(5-3-17)22-8-10-23(11-9-22)19(26)20-6-7-21-12-14-25-15-13-21/h2-5H,6-15H2,1H3,(H,20,26)/p+1