(2S)-1-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(2-hydroxy-7-methoxy-1-naphthalenyl)methyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]piperidin-1-ium-2-carboxamide Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCCCC3C(=O)N)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCCC[C@H]3C(=O)N)O

InChI

InChI=1S/C18H22N2O3/c1-23-13-7-5-12-6-8-17(21)15(14(12)10-13)11-20-9-3-2-4-16(20)18(19)22/h5-8,10,16,21H,2-4,9,11H2,1H3,(H2,19,22)/p+1/t16-/m0/s1