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

Systemtic Name: [(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone Openeye Name: [(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]-(1-piperidyl)methanone CAS Name: [(3R)-1-[[4-(methylthio)phenyl]methyl]-3-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone Traditional Name: [(3R)-1-[4-(methylthio)benzyl]piperidin-1-ium-3-yl]-piperidino-methanone Formula: C19H29N2OS+ MolecularWeight: 333.51136

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC[C@H](C2)C(=O)N3CCCCC3

InChI

InChI=1S/C19H28N2OS/c1-23-18-9-7-16(8-10-18)14-20-11-5-6-17(15-20)19(22)21-12-3-2-4-13-21/h7-10,17H,2-6,11-15H2,1H3/p+1/t17-/m1/s1