1-[4-[3-(1-azanylpiperidin-1-ium-1-yl)propylamino]-1,3,5-triazin-2-yl]anthracene-9,10-dione

Systemtic Name: 1-[4-[3-(1-azanylpiperidin-1-ium-1-yl)propylamino]-1,3,5-triazin-2-yl]anthracene-9,10-dione Openeye Name: 1-[4-[3-(1-aminopiperidin-1-ium-1-yl)propylamino]-1,3,5-triazin-2-yl]anthracene-9,10-dione CAS Name: 1-[4-[3-(1-amino-1-piperidin-1-iumyl)propylamino]-1,3,5-triazin-2-yl]anthracene-9,10-dione IUPAC Name: 1-[4-[3-(1-aminopiperidin-1-ium-1-yl)propylamino]-1,3,5-triazin-2-yl]anthracene-9,10-dione Traditional Name: 1-[4-[3-(1-aminopiperidin-1-ium-1-yl)propylamino]-s-triazin-2-yl]-9,10-anthraquinone Formula: C25H27N6O2+ MolecularWeight: 443.52088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCCNC2=NC=NC(=N2)C3=C4C(=CC=C3)C(=O)C5=CC=CC=C5C4=O)N

Isomeric SMILES

C1CC[N+](CC1)(CCCNC2=NC=NC(=N2)C3=C4C(=CC=C3)C(=O)C5=CC=CC=C5C4=O)N

InChI

InChI=1S/C25H27N6O2/c26-31(13-4-1-5-14-31)15-7-12-27-25-29-16-28-24(30-25)20-11-6-10-19-21(20)23(33)18-9-3-2-8-17(18)22(19)32/h2-3,6,8-11,16H,1,4-5,7,12-15,26H2,(H,27,28,29,30)/q+1