1,2-dihydroacenaphthylen-5-yl-[(3S)-1-[[3-(2-hydroxyethyloxy)phenyl]methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-[[3-(2-hydroxyethyloxy)phenyl]methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-1-ium-3-yl]methanone Traditional Name: acenaphthen-5-yl-[(3S)-1-[3-(2-hydroxyethoxy)benzyl]piperidin-1-ium-3-yl]methanone Formula: C27H30NO3+ MolecularWeight: 416.532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=CC=C2)OCCO)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=CC=C2)OCCO)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

InChI

InChI=1S/C27H29NO3/c29-14-15-31-23-7-1-4-19(16-23)17-28-13-3-6-22(18-28)27(30)25-12-11-21-10-9-20-5-2-8-24(25)26(20)21/h1-2,4-5,7-8,11-12,16,22,29H,3,6,9-10,13-15,17-18H2/p+1/t22-/m0/s1