2-[[3-(aminomethyl)phenyl]methyl]-3-methyl-1,4-bis(oxidanyl)anthracene-9,10-dione hydrochloride

Systemtic Name: 2-[[3-(aminomethyl)phenyl]methyl]-3-methyl-1,4-bis(oxidanyl)anthracene-9,10-dione hydrochloride Openeye Name: 2-[[3-(aminomethyl)phenyl]methyl]-1,4-dihydroxy-3-methyl-anthracene-9,10-dione hydrochloride CAS Name: 2-[[3-(aminomethyl)phenyl]methyl]-1,4-dihydroxy-3-methylanthracene-9,10-dione hydrochloride IUPAC Name: 2-[[3-(aminomethyl)phenyl]methyl]-1,4-dihydroxy-3-methylanthracene-9,10-dione hydrochloride Traditional Name: 2-[3-(aminomethyl)benzyl]-1,4-dihydroxy-3-methyl-9,10-anthraquinone hydrochloride Formula: C23H20ClNO4 MolecularWeight: 409.8622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1CC3=CC(=CC=C3)CN)O)C(=O)C4=CC=CC=C4C2=O)O.Cl

Isomeric SMILES

CC1=C(C2=C(C(=C1CC3=CC(=CC=C3)CN)O)C(=O)C4=CC=CC=C4C2=O)O.Cl

InChI

InChI=1S/C23H19NO4.ClH/c1-12-17(10-13-5-4-6-14(9-13)11-24)23(28)19-18(20(12)25)21(26)15-7-2-3-8-16(15)22(19)27;/h2-9,25,28H,10-11,24H2,1H3;1H