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

Systemtic Name: 4-(2-ethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Openeye Name: 4-(2-ethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide CAS Name: 4-(2-ethoxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-ethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-4-o-phenetyl-piperazine-1-carbothioamide Formula: C19H31N4O2S+ MolecularWeight: 379.54004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H30N4O2S/c1-2-25-18-6-4-3-5-17(18)22-9-11-23(12-10-22)19(26)20-7-8-21-13-15-24-16-14-21/h3-6H,2,7-16H2,1H3,(H,20,26)/p+1