ethyl 2-[1-[(Z)-2-(4-chlorophenyl)-1-phenyl-ethenyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-[(Z)-2-(4-chlorophenyl)-1-phenyl-ethenyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-2-yl]ethanoate Openeye Name: ethyl 2-[1-[(Z)-2-(4-chlorophenyl)-1-phenyl-vinyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-2-yl]acetate CAS Name: 2-[1-[(Z)-2-(4-chlorophenyl)-1-phenylethenyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(Z)-2-(4-chlorophenyl)-1-phenylethenyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-2-yl]acetate Traditional Name: 2-[1-[(Z)-2-(4-chlorophenyl)-1-phenyl-vinyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-2-yl]acetic acid ethyl ester Formula: C29H29ClNO4+ MolecularWeight: 490.99786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)C(=CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)/C(=C\C3=CC=C(C=C3)Cl)/C4=CC=CC=C4

InChI

InChI=1S/C29H29ClNO4/c1-4-35-28(32)19-31-15-14-22-17-26(33-2)27(34-3)18-25(22)29(31)24(21-8-6-5-7-9-21)16-20-10-12-23(30)13-11-20/h5-13,16-18H,4,14-15,19H2,1-3H3/q+1/b24-16-