[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone

Systemtic Name: [2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [2-[[1-[[3-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [2-[1-[3-(methylthio)benzyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C25H33N2O2S+ MolecularWeight: 425.60672

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCCC4

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCCC4

InChI

InChI=1S/C25H32N2O2S/c1-30-22-9-7-8-20(18-22)19-26-16-12-21(13-17-26)29-24-11-4-3-10-23(24)25(28)27-14-5-2-6-15-27/h3-4,7-11,18,21H,2,5-6,12-17,19H2,1H3/p+1