[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]methanone Formula: C25H34N3OS+ MolecularWeight: 424.62196

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3OS/c1-30-24-9-7-22(8-10-24)20-26-13-11-23(12-14-26)25(29)28-17-15-27(16-18-28)19-21-5-3-2-4-6-21/h2-10,23H,11-20H2,1H3/p+1