(6-methoxynaphthalen-2-yl)-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (6-methoxynaphthalen-2-yl)-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone Openeye Name: (6-methoxy-2-naphthyl)-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone CAS Name: (6-methoxy-2-naphthalenyl)-[(3S)-1-[3-(methylthio)propyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (6-methoxynaphthalen-2-yl)-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone Traditional Name: (6-methoxy-2-naphthyl)-[(3S)-1-[3-(methylthio)propyl]piperidin-1-ium-3-yl]methanone Formula: C21H28NO2S+ MolecularWeight: 358.51752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C3CCC[NH+](C3)CCCSC

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)[C@H]3CCC[NH+](C3)CCCSC

InChI

InChI=1S/C21H27NO2S/c1-24-20-9-8-16-13-18(7-6-17(16)14-20)21(23)19-5-3-10-22(15-19)11-4-12-25-2/h6-9,13-14,19H,3-5,10-12,15H2,1-2H3/p+1/t19-/m0/s1