2-[2-[(4-methoxyphenyl)methyl]-2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-2-ium-3-yl]ethanamide

Systemtic Name: 2-[2-[(4-methoxyphenyl)methyl]-2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-2-ium-3-yl]ethanamide Openeye Name: 2-[2-[(4-methoxyphenyl)methyl]-2,6,7-trimethyl-1-oxo-4-phenyl-isoquinolin-2-ium-3-yl]acetamide CAS Name: 2-[2-[(4-methoxyphenyl)methyl]-2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolin-2-iumyl]acetamide IUPAC Name: 2-[2-[(4-methoxyphenyl)methyl]-2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-2-ium-3-yl]acetamide Traditional Name: 2-(1-keto-2,6,7-trimethyl-2-p-anisyl-4-phenyl-isoquinolin-2-ium-3-yl)acetamide Formula: C28H29N2O3+ MolecularWeight: 441.54146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C([N+](C2=O)(C)CC3=CC=C(C=C3)OC)CC(=O)N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C([N+](C2=O)(C)CC3=CC=C(C=C3)OC)CC(=O)N)C4=CC=CC=C4)C

InChI

InChI=1S/C28H28N2O3/c1-18-14-23-24(15-19(18)2)28(32)30(3,17-20-10-12-22(33-4)13-11-20)25(16-26(29)31)27(23)21-8-6-5-7-9-21/h5-15H,16-17H2,1-4H3,(H-,29,31)/p+1