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

Systemtic Name: [1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]-(4-phenylpiperazino)methanone Formula: C24H32N3OS+ MolecularWeight: 410.59538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3OS/c1-29-23-9-7-20(8-10-23)19-25-13-11-21(12-14-25)24(28)27-17-15-26(16-18-27)22-5-3-2-4-6-22/h2-10,21H,11-19H2,1H3/p+1