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

Systemtic Name: [4-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-[[3-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-[3-(methylthio)benzyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C24H31N2O2S+ MolecularWeight: 411.58014

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C24H30N2O2S/c1-29-23-6-4-5-19(17-23)18-25-15-11-22(12-16-25)28-21-9-7-20(8-10-21)24(27)26-13-2-3-14-26/h4-10,17,22H,2-3,11-16,18H2,1H3/p+1