4-(1-azanylethyl)-2-[(4-hydroxyphenyl)methyl]-2-methyl-3-phenyl-isoquinolin-2-ium-1-one

Systemtic Name: 4-(1-azanylethyl)-2-[(4-hydroxyphenyl)methyl]-2-methyl-3-phenyl-isoquinolin-2-ium-1-one Openeye Name: 4-(1-aminoethyl)-2-[(4-hydroxyphenyl)methyl]-2-methyl-3-phenyl-isoquinolin-2-ium-1-one CAS Name: 4-(1-aminoethyl)-2-[(4-hydroxyphenyl)methyl]-2-methyl-3-phenyl-1-isoquinolin-2-iumone IUPAC Name: 4-(1-aminoethyl)-2-[(4-hydroxyphenyl)methyl]-2-methyl-3-phenylisoquinolin-2-ium-1-one Traditional Name: 4-(1-aminoethyl)-2-(4-hydroxybenzyl)-2-methyl-3-phenyl-isoquinolin-2-ium-1-one Formula: C25H25N2O2+ MolecularWeight: 385.4782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C([N+](C(=O)C2=CC=CC=C21)(C)CC3=CC=C(C=C3)O)C4=CC=CC=C4)N

Isomeric SMILES

CC(C1=C([N+](C(=O)C2=CC=CC=C21)(C)CC3=CC=C(C=C3)O)C4=CC=CC=C4)N

InChI

InChI=1S/C25H24N2O2/c1-17(26)23-21-10-6-7-11-22(21)25(29)27(2,16-18-12-14-20(28)15-13-18)24(23)19-8-4-3-5-9-19/h3-15,17H,16,26H2,1-2H3/p+1