(2-ethylsulfanylphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-ethylsulfanylphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-ethylsulfanylphenyl)methanone CAS Name: [2-(ethylthio)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-ethylsulfanylphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(ethylthio)phenyl]methanone Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2OS/c1-2-24-19-11-7-6-10-18(19)20(23)22-14-12-21(13-15-22)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3/p+1