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

Systemtic Name: [2-(2-methoxyethylsulfanyl)phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(2-methoxyethylsulfanyl)phenyl]methanone CAS Name: [2-(2-methoxyethylthio)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(2-methoxyethylsulfanyl)phenyl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(2-methoxyethylthio)phenyl]methanone Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COCCSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S/c1-25-15-16-26-20-10-6-5-9-19(20)21(24)23-13-11-22(12-14-23)17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3/p+1