1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-[4-(methylthio)benzyl]piperazine-1,4-diium Formula: C22H32N2O2S+2 MolecularWeight: 388.56668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)SC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CC[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+2