2-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethylidene]indene-1,3-dione

Systemtic Name: 2-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethylidene]indene-1,3-dione Openeye Name: 2-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethylidene]indane-1,3-dione CAS Name: 2-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]ethylidene]indene-1,3-dione IUPAC Name: 2-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethylidene]indene-1,3-dione Traditional Name: 2-[1-(4-piperonylpiperazin-4-ium-1-yl)ethylidene]indane-1,3-quinone Formula: C23H23N2O4+ MolecularWeight: 391.43972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N2O4/c1-15(21-22(26)17-4-2-3-5-18(17)23(21)27)25-10-8-24(9-11-25)13-16-6-7-19-20(12-16)29-14-28-19/h2-7,12H,8-11,13-14H2,1H3/p+1