[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-naphthalen-1-yl-methanone

Systemtic Name: [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-naphthalen-1-yl-methanone Openeye Name: [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(1-naphthyl)methanone CAS Name: [(3S)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-naphthalen-1-ylmethanone Traditional Name: [(3S)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]-(1-naphthyl)methanone Formula: C22H24N3OS+ MolecularWeight: 378.51046

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCCC(C2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H23N3OS/c1-27-22-23-12-16(13-24-22)14-25-11-5-8-18(15-25)21(26)20-10-4-7-17-6-2-3-9-19(17)20/h2-4,6-7,9-10,12-13,18H,5,8,11,14-15H2,1H3/p+1/t18-/m0/s1