(2S)-N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: (2S)-N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: (2S)-N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: (2S)-N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: (2S)-N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: (2S)-N-p-phenetyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H24N2O2/c1-3-24-19-10-8-18(9-11-19)21-20(23)15(2)22-13-12-16-6-4-5-7-17(16)14-22/h4-11,15H,3,12-14H2,1-2H3,(H,21,23)/p+1/t15-/m0/s1