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

Systemtic Name: 4-(2-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-4-(o-tolyl)piperazine-1-carbothioamide CAS Name: 4-(2-methylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-4-(o-tolyl)piperazine-1-carbothioamide Formula: C18H29N4OS+ MolecularWeight: 349.51406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C18H28N4OS/c1-16-4-2-3-5-17(16)21-8-10-22(11-9-21)18(24)19-6-7-20-12-14-23-15-13-20/h2-5H,6-15H2,1H3,(H,19,24)/p+1