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

Systemtic Name: 1-[(3S)-3-(1,2-dihydroacenaphthylen-5-ylcarbonyl)piperidin-1-yl]-2-(4-ethylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-1-piperidyl]-2-(4-ethylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(3S)-3-[1,2-dihydroacenaphthylen-5-yl(oxo)methyl]-1-piperidinyl]-2-(4-ethyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-2-(4-ethylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(3S)-3-(acenaphthene-5-carbonyl)piperidino]-2-(4-ethylpiperazin-1-ium-1-yl)ethanone Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)N2CCCC(C2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)N2CCC[C@@H](C2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

InChI

InChI=1S/C26H33N3O2/c1-2-27-13-15-28(16-14-27)18-24(30)29-12-4-6-21(17-29)26(31)23-11-10-20-9-8-19-5-3-7-22(23)25(19)20/h3,5,7,10-11,21H,2,4,6,8-9,12-18H2,1H3/p+1/t21-/m0/s1