(3S)-2-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-2-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[(2-hydroxy-7-methoxy-1-naphthalenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C22H23N2O3+ MolecularWeight: 363.42962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CC4=CC=CC=C4CC3C(=O)N)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CC4=CC=CC=C4C[C@H]3C(=O)N)O

InChI

InChI=1S/C22H22N2O3/c1-27-17-8-6-14-7-9-21(25)19(18(14)11-17)13-24-12-16-5-3-2-4-15(16)10-20(24)22(23)26/h2-9,11,20,25H,10,12-13H2,1H3,(H2,23,26)/p+1/t20-/m0/s1