1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium CAS Name: 1-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Formula: C24H36N3S+3 MolecularWeight: 398.62774

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H33N3S/c1-28-24-9-7-22(8-10-24)20-25-13-11-23(12-14-25)27-17-15-26(16-18-27)19-21-5-3-2-4-6-21/h2-10,23H,11-20H2,1H3/p+3