1-[3-[[(3S)-3-naphthalen-1-ylcarbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[(3S)-3-naphthalen-1-ylcarbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[(3S)-3-(naphthalene-1-carbonyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[(3S)-3-[1-naphthalenyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[(3S)-3-(naphthalene-1-carbonyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[(3S)-3-(1-naphthoyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C25H26NO2+ MolecularWeight: 372.47944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCCC(C2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H25NO2/c1-18(27)21-10-4-7-19(15-21)16-26-14-6-11-22(17-26)25(28)24-13-5-9-20-8-2-3-12-23(20)24/h2-5,7-10,12-13,15,22H,6,11,14,16-17H2,1H3/p+1/t22-/m0/s1