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

Systemtic Name: (6-methoxynaphthalen-2-yl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (6-methoxy-2-naphthyl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (6-methoxy-2-naphthalenyl)-[(3S)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (6-methoxynaphthalen-2-yl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (6-methoxy-2-naphthyl)-[(3S)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]methanone Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C3CCC[NH+](C3)CC4=CN=C(N=C4)SC

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)[C@H]3CCC[NH+](C3)CC4=CN=C(N=C4)SC

InChI

InChI=1S/C23H25N3O2S/c1-28-21-8-7-17-10-19(6-5-18(17)11-21)22(27)20-4-3-9-26(15-20)14-16-12-24-23(29-2)25-13-16/h5-8,10-13,20H,3-4,9,14-15H2,1-2H3/p+1/t20-/m0/s1