[(3S)-1-[[4-(2-hydroxyethyloxy)phenyl]methyl]piperidin-1-ium-3-yl]-naphthalen-1-yl-methanone

Systemtic Name: [(3S)-1-[[4-(2-hydroxyethyloxy)phenyl]methyl]piperidin-1-ium-3-yl]-naphthalen-1-yl-methanone Openeye Name: [(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-1-ium-3-yl]-(1-naphthyl)methanone CAS Name: [(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-piperidin-1-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-1-ium-3-yl]-naphthalen-1-ylmethanone Traditional Name: [(3S)-1-[4-(2-hydroxyethoxy)benzyl]piperidin-1-ium-3-yl]-(1-naphthyl)methanone Formula: C25H28NO3+ MolecularWeight: 390.49472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)OCCO)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)OCCO)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H27NO3/c27-15-16-29-22-12-10-19(11-13-22)17-26-14-4-7-21(18-26)25(28)24-9-3-6-20-5-1-2-8-23(20)24/h1-3,5-6,8-13,21,27H,4,7,14-18H2/p+1/t21-/m0/s1