4-(2,3-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dimethylphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Formula: C20H33N4OS+ MolecularWeight: 377.56722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NCCC[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NCCC[NH+]3CCOCC3)C

InChI

InChI=1S/C20H32N4OS/c1-17-5-3-6-19(18(17)2)23-9-11-24(12-10-23)20(26)21-7-4-8-22-13-15-25-16-14-22/h3,5-6H,4,7-16H2,1-2H3,(H,21,26)/p+1