1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-[4-(methylthio)benzyl]piperazin-4-ium Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)SC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C22H30N2O2S/c1-4-26-22-15-19(7-10-21(22)25-2)17-24-13-11-23(12-14-24)16-18-5-8-20(27-3)9-6-18/h5-10,15H,4,11-14,16-17H2,1-3H3/p+1