4-(aminomethyl)-2-[(4-hydroxyphenyl)methyl]-2-methyl-5-oxidanyl-3-phenyl-isoquinolin-2-ium-1-one

Systemtic Name: 4-(aminomethyl)-2-[(4-hydroxyphenyl)methyl]-2-methyl-5-oxidanyl-3-phenyl-isoquinolin-2-ium-1-one Openeye Name: 4-(aminomethyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-2-methyl-3-phenyl-isoquinolin-2-ium-1-one CAS Name: 4-(aminomethyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-2-methyl-3-phenyl-1-isoquinolin-2-iumone IUPAC Name: 4-(aminomethyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-2-methyl-3-phenylisoquinolin-2-ium-1-one Traditional Name: 4-(aminomethyl)-5-hydroxy-2-(4-hydroxybenzyl)-2-methyl-3-phenyl-isoquinolin-2-ium-1-one Formula: C24H23N2O3+ MolecularWeight: 387.45102

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=C(C2=C(C1=O)C=CC=C2O)CN)C3=CC=CC=C3)CC4=CC=C(C=C4)O

Isomeric SMILES

C[N+]1(C(=C(C2=C(C1=O)C=CC=C2O)CN)C3=CC=CC=C3)CC4=CC=C(C=C4)O

InChI

InChI=1S/C24H22N2O3/c1-26(15-16-10-12-18(27)13-11-16)23(17-6-3-2-4-7-17)20(14-25)22-19(24(26)29)8-5-9-21(22)28/h2-13H,14-15,25H2,1H3,(H-,27,28)/p+1