[(3S)-2-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(3S)-2-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(3S)-2-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [(3S)-2-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [(3S)-2-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(3S)-2-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]-pyrrolidino-methanone Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3=CC=CC=C3C[NH+]2CC4=CC=C(C=C4)O

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2CC3=CC=CC=C3C[NH+]2CC4=CC=C(C=C4)O

InChI

InChI=1S/C21H24N2O2/c24-19-9-7-16(8-10-19)14-23-15-18-6-2-1-5-17(18)13-20(23)21(25)22-11-3-4-12-22/h1-2,5-10,20,24H,3-4,11-15H2/p+1/t20-/m0/s1