1-azanyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-(propan-2-ylamino)anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-(propan-2-ylamino)anthracene-9,10-dione Openeye Name: 1-amino-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-(isopropylamino)anthracene-9,10-dione CAS Name: 1-amino-2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-4-(propan-2-ylamino)anthracene-9,10-dione IUPAC Name: 1-amino-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-(propan-2-ylamino)anthracene-9,10-dione Traditional Name: 1-amino-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-(isopropylamino)-9,10-anthraquinone Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C2C(=C(C(=C1)N3CC[NH+](CC3)CCO)N)C(=O)C4=CC=CC=C4C2=O

Isomeric SMILES

CC(C)NC1=C2C(=C(C(=C1)N3CC[NH+](CC3)CCO)N)C(=O)C4=CC=CC=C4C2=O

InChI

InChI=1S/C23H28N4O3/c1-14(2)25-17-13-18(27-9-7-26(8-10-27)11-12-28)21(24)20-19(17)22(29)15-5-3-4-6-16(15)23(20)30/h3-6,13-14,25,28H,7-12,24H2,1-2H3/p+1