1-[4-[(3S)-3-(1,2-dihydroacenaphthylen-5-ylcarbonyl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[(3S)-3-(1,2-dihydroacenaphthylen-5-ylcarbonyl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[(3S)-3-[1,2-dihydroacenaphthylen-5-yl(oxo)methyl]-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[(3S)-3-(acenaphthene-5-carbonyl)piperidin-1-ium-1-yl]piperidino]ethanone Formula: C25H31N2O2+ MolecularWeight: 391.52584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

Isomeric SMILES

CC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

InChI

InChI=1S/C25H30N2O2/c1-17(28)26-14-11-21(12-15-26)27-13-3-5-20(16-27)25(29)23-10-9-19-8-7-18-4-2-6-22(23)24(18)19/h2,4,6,9-10,20-21H,3,5,7-8,11-16H2,1H3/p+1/t20-/m0/s1