[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-[3-[(methylthio)methyl]phenyl]methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone Traditional Name: [3-[(methylthio)methyl]phenyl]-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)CSC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)CSC

InChI

InChI=1S/C21H26N2O2S/c1-25-20-8-6-17(7-9-20)15-22-10-12-23(13-11-22)21(24)19-5-3-4-18(14-19)16-26-2/h3-9,14H,10-13,15-16H2,1-2H3/p+1