(2S)-2-(5-methoxy-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoate

Systemtic Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoate Openeye Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate CAS Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate IUPAC Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate Traditional Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H20N2O3/c1-25-15-6-7-18-16(10-15)17(11-21-18)19(20(23)24)22-9-8-13-4-2-3-5-14(13)12-22/h2-7,10-11,19,21H,8-9,12H2,1H3,(H,23,24)/t19-/m0/s1