1-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]anthracene-9,10-dione

Systemtic Name: 1-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]anthracene-9,10-dione Openeye Name: 1-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]anthracene-9,10-dione CAS Name: 1-[2-(1-methyl-1-piperidin-1-iumyl)ethylamino]anthracene-9,10-dione IUPAC Name: 1-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]anthracene-9,10-dione Traditional Name: 1-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]-9,10-anthraquinone Formula: C22H25N2O2+ MolecularWeight: 349.4461

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C[N+]1(CCCCC1)CCNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H24N2O2/c1-24(13-5-2-6-14-24)15-12-23-19-11-7-10-18-20(19)22(26)17-9-4-3-8-16(17)21(18)25/h3-4,7-11H,2,5-6,12-15H2,1H3/p+1