1,4-bis(azanyl)-5-[3-(3-methyl-3H-pyrazol-1-ium-1-yl)propylamino]anthracene-9,10-dione

Systemtic Name: 1,4-bis(azanyl)-5-[3-(3-methyl-3H-pyrazol-1-ium-1-yl)propylamino]anthracene-9,10-dione Openeye Name: 1,4-diamino-5-[3-(3-methyl-3H-pyrazol-1-ium-1-yl)propylamino]anthracene-9,10-dione CAS Name: 1,4-diamino-5-[3-(3-methyl-3H-pyrazol-1-ium-1-yl)propylamino]anthracene-9,10-dione IUPAC Name: 1,4-diamino-5-[3-(3-methyl-3H-pyrazol-1-ium-1-yl)propylamino]anthracene-9,10-dione Traditional Name: 1,4-diamino-5-[3-(3-methyl-3H-pyrazol-1-ium-1-yl)propylamino]-9,10-anthraquinone Formula: C21H22N5O2+ MolecularWeight: 376.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C[N+](=N1)CCCNC2=CC=CC3=C2C(=O)C4=C(C=CC(=C4C3=O)N)N

Isomeric SMILES

CC1C=C[N+](=N1)CCCNC2=CC=CC3=C2C(=O)C4=C(C=CC(=C4C3=O)N)N

InChI

InChI=1S/C21H21N5O2/c1-12-8-11-26(25-12)10-3-9-24-16-5-2-4-13-17(16)21(28)19-15(23)7-6-14(22)18(19)20(13)27/h2,4-8,11-12,22-23,25H,3,9-10H2,1H3,(H,24,28)/p+1