[(3S)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-naphthalen-1-yl-methanone

Systemtic Name: [(3S)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-naphthalen-1-yl-methanone Openeye Name: [(3S)-1-[(2-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(1-naphthyl)methanone CAS Name: [(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-naphthalen-1-ylmethanone Traditional Name: [(3S)-1-(2-hydroxy-5-methoxy-benzyl)piperidin-1-ium-3-yl]-(1-naphthyl)methanone Formula: C24H26NO3+ MolecularWeight: 376.46814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C[NH+]2CCCC(C2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC(=C(C=C1)O)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H25NO3/c1-28-20-11-12-23(26)19(14-20)16-25-13-5-8-18(15-25)24(27)22-10-4-7-17-6-2-3-9-21(17)22/h2-4,6-7,9-12,14,18,26H,5,8,13,15-16H2,1H3/p+1/t18-/m0/s1