4-ethoxy-N-[(2R)-2-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide

Systemtic Name: 4-ethoxy-N-[(2R)-2-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide Openeye Name: 4-ethoxy-N-[(2R)-2-(3-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide CAS Name: 4-ethoxy-N-[(2R)-2-(3-pyridinyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide IUPAC Name: 4-ethoxy-N-[(2R)-2-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide Traditional Name: 4-ethoxy-N-[(2R)-2-(3-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(C2=CN=CC=C2)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CN=CC=C2)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H27N3O2/c1-2-30-23-11-9-20(10-12-23)25(29)27-17-24(21-8-5-14-26-16-21)28-15-13-19-6-3-4-7-22(19)18-28/h3-12,14,16,24H,2,13,15,17-18H2,1H3,(H,27,29)/p+1/t24-/m0/s1