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

Systemtic Name: [(3S)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-naphthalen-1-yl-methanone Openeye Name: [(3S)-1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(1-naphthyl)methanone CAS Name: [(3S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [(3S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-naphthalen-1-ylmethanone Traditional Name: 1-naphthyl-[(3S)-1-vanillylpiperidin-1-ium-3-yl]methanone Formula: C24H26NO3+ MolecularWeight: 376.46814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO3/c1-28-23-14-17(11-12-22(23)26)15-25-13-5-8-19(16-25)24(27)21-10-4-7-18-6-2-3-9-20(18)21/h2-4,6-7,9-12,14,19,26H,5,8,13,15-16H2,1H3/p+1/t19-/m0/s1