2-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]indene-1,3-dione

Systemtic Name: 2-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]indene-1,3-dione Openeye Name: 2-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]indane-1,3-dione CAS Name: 2-[1-[(4-methyl-1-piperazin-4-iumyl)amino]ethylidene]indene-1,3-dione IUPAC Name: 2-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]indene-1,3-dione Traditional Name: 2-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]indane-1,3-quinone Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)C2=CC=CC=C2C1=O)NN3CC[NH+](CC3)C

Isomeric SMILES

CC(=C1C(=O)C2=CC=CC=C2C1=O)NN3CC[NH+](CC3)C

InChI

InChI=1S/C16H19N3O2/c1-11(17-19-9-7-18(2)8-10-19)14-15(20)12-5-3-4-6-13(12)16(14)21/h3-6,17H,7-10H2,1-2H3/p+1