2-[1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethylidene]indene-1,3-dione

Systemtic Name: 2-[1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethylidene]indene-1,3-dione Openeye Name: 2-[1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethylidene]indane-1,3-dione CAS Name: 2-[1-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]ethylidene]indene-1,3-dione IUPAC Name: 2-[1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethylidene]indene-1,3-dione Traditional Name: 2-[1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethylidene]indane-1,3-quinone Formula: C17H21N2O3+ MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CC[NH+](CC3)CCO

Isomeric SMILES

CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C17H20N2O3/c1-12(19-8-6-18(7-9-19)10-11-20)15-16(21)13-4-2-3-5-14(13)17(15)22/h2-5,20H,6-11H2,1H3/p+1