2-[[1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-isoquinolin-2-ium-6-yl]amino]ethyl ethanoate

Systemtic Name: 2-[[1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-isoquinolin-2-ium-6-yl]amino]ethyl ethanoate Openeye Name: 2-[[1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-isoquinolin-2-ium-6-yl]amino]ethyl acetate CAS Name: acetic acid 2-[[1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-6-isoquinolin-2-iumyl]amino]ethyl ester IUPAC Name: 2-[[1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methylisoquinolin-2-ium-6-yl]amino]ethyl acetate Traditional Name: acetic acid 2-[(7-methoxy-2-methyl-1-veratryl-isoquinolin-2-ium-6-yl)amino]ethyl ester Formula: C24H29N2O5+ MolecularWeight: 425.49746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCNC1=C(C=C2C(=C1)C=C[N+](=C2CC3=CC(=C(C=C3)OC)OC)C)OC

Isomeric SMILES

CC(=O)OCCNC1=C(C=C2C(=C1)C=C[N+](=C2CC3=CC(=C(C=C3)OC)OC)C)OC

InChI

InChI=1S/C24H28N2O5/c1-16(27)31-11-9-25-20-14-18-8-10-26(2)21(19(18)15-23(20)29-4)12-17-6-7-22(28-3)24(13-17)30-5/h6-8,10,13-15H,9,11-12H2,1-5H3/p+1