ethyl 2-[1-(phenylmethyl)isoquinolin-2-ium-2-yl]ethanoate chloride

Systemtic Name: ethyl 2-[1-(phenylmethyl)isoquinolin-2-ium-2-yl]ethanoate chloride Openeye Name: ethyl 2-(1-benzylisoquinolin-2-ium-2-yl)acetate chloride CAS Name: 2-[1-(phenylmethyl)-2-isoquinolin-2-iumyl]acetic acid ethyl ester chloride IUPAC Name: ethyl 2-(1-benzylisoquinolin-2-ium-2-yl)acetate chloride Traditional Name: 2-(1-benzylisoquinolin-2-ium-2-yl)acetic acid ethyl ester chloride Formula: C20H20ClNO2 MolecularWeight: 341.8313

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCOC(=O)C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H20NO2.ClH/c1-2-23-20(22)15-21-13-12-17-10-6-7-11-18(17)19(21)14-16-8-4-3-5-9-16;/h3-13H,2,14-15H2,1H3;1H/q+1;/p-1