1-[3-[[(3S)-3-(6-methoxynaphthalen-2-yl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[(3S)-3-(6-methoxynaphthalen-2-yl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[(3S)-3-[(6-methoxy-2-naphthalenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[(3S)-3-(6-methoxy-2-naphthoyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C26H28NO3+ MolecularWeight: 402.50542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCCC(C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC

InChI

InChI=1S/C26H27NO3/c1-18(28)20-6-3-5-19(13-20)16-27-12-4-7-24(17-27)26(29)23-9-8-22-15-25(30-2)11-10-21(22)14-23/h3,5-6,8-11,13-15,24H,4,7,12,16-17H2,1-2H3/p+1/t24-/m0/s1