azane; 2-[2-(2-methoxyphenyl)ethyl]-2,3,6,7-tetramethyl-4-phenyl-isoquinolin-2-ium-1-one

Systemtic Name: azane; 2-[2-(2-methoxyphenyl)ethyl]-2,3,6,7-tetramethyl-4-phenyl-isoquinolin-2-ium-1-one Openeye Name: ammonia; 2-[2-(2-methoxyphenyl)ethyl]-2,3,6,7-tetramethyl-4-phenyl-isoquinolin-2-ium-1-one CAS Name: ammonia; 2-[2-(2-methoxyphenyl)ethyl]-2,3,6,7-tetramethyl-4-phenyl-1-isoquinolin-2-iumone IUPAC Name: azane; 2-[2-(2-methoxyphenyl)ethyl]-2,3,6,7-tetramethyl-4-phenylisoquinolin-2-ium-1-one Traditional Name: ammonia; 2-[2-(2-methoxyphenyl)ethyl]-2,3,6,7-tetramethyl-4-phenyl-isoquinolin-2-ium-1-one Formula: C28H33N2O2+ MolecularWeight: 429.57382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C([N+](C2=O)(C)CCC3=CC=CC=C3OC)C)C4=CC=CC=C4)C.N

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C([N+](C2=O)(C)CCC3=CC=CC=C3OC)C)C4=CC=CC=C4)C.N

InChI

InChI=1S/C28H30NO2.H3N/c1-19-17-24-25(18-20(19)2)28(30)29(4,16-15-22-11-9-10-14-26(22)31-5)21(3)27(24)23-12-7-6-8-13-23;/h6-14,17-18H,15-16H2,1-5H3;1H3/q+1;