4-(5-chloranyl-2-methyl-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(5-chloranyl-2-methyl-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-2-methyl-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide CAS Name: 4-(5-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-2-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-2-methyl-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Formula: C18H28ClN4OS+ MolecularWeight: 383.95912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C18H27ClN4OS/c1-15-2-3-16(19)14-17(15)22-6-8-23(9-7-22)18(25)20-4-5-21-10-12-24-13-11-21/h2-3,14H,4-13H2,1H3,(H,20,25)/p+1