N-methyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(4-methylsulfanylphenyl)methyl]ethanamide

Systemtic Name: N-methyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(4-methylsulfanylphenyl)methyl]ethanamide Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-methyl-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[[4-(methylthio)phenyl]methyl]acetamide IUPAC Name: N-methyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide Traditional Name: N-methyl-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]-N-[4-(methylthio)benzyl]acetamide Formula: C23H33N3OS+2 MolecularWeight: 399.59262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)N(C)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)N(C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H31N3OS/c1-19-6-4-5-7-21(19)17-25-12-14-26(15-13-25)18-23(27)24(2)16-20-8-10-22(28-3)11-9-20/h4-11H,12-18H2,1-3H3/p+2