methyl (3S)-2-[(2-oxidanylnaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: methyl (3S)-2-[(2-oxidanylnaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: methyl (3S)-2-[(2-hydroxy-1-naphthyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3S)-2-[(2-hydroxy-1-naphthalenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3S)-2-[(2-hydroxy-1-naphthyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester Formula: C22H22NO3+ MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2C[NH+]1CC3=C(C=CC4=CC=CC=C43)O

Isomeric SMILES

COC(=O)[C@@H]1CC2=CC=CC=C2C[NH+]1CC3=C(C=CC4=CC=CC=C43)O

InChI

InChI=1S/C22H21NO3/c1-26-22(25)20-12-16-7-2-3-8-17(16)13-23(20)14-19-18-9-5-4-6-15(18)10-11-21(19)24/h2-11,20,24H,12-14H2,1H3/p+1/t20-/m0/s1