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

Systemtic Name: 2-[2,6,7-trimethyl-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinolin-2-ium-3-yl]ethanamide Openeye Name: 2-(2-benzyl-2,6,7-trimethyl-1-oxo-4-phenyl-isoquinolin-2-ium-3-yl)acetamide CAS Name: 2-[2,6,7-trimethyl-1-oxo-4-phenyl-2-(phenylmethyl)-3-isoquinolin-2-iumyl]acetamide IUPAC Name: 2-(2-benzyl-2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-2-ium-3-yl)acetamide Traditional Name: 2-(2-benzyl-1-keto-2,6,7-trimethyl-4-phenyl-isoquinolin-2-ium-3-yl)acetamide Formula: C27H27N2O2+ MolecularWeight: 411.51548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O2/c1-18-14-22-23(15-19(18)2)27(31)29(3,17-20-10-6-4-7-11-20)24(16-25(28)30)26(22)21-12-8-5-9-13-21/h4-15H,16-17H2,1-3H3,(H-,28,30)/p+1