2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethanone Formula: C24H31N2O3S+ MolecularWeight: 427.57954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CSCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CSCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C24H30N2O3S/c1-18-6-4-5-7-21(18)15-25-10-12-26(13-11-25)24(28)17-30-16-22-14-20(19(2)27)8-9-23(22)29-3/h4-9,14H,10-13,15-17H2,1-3H3/p+1