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

Systemtic Name: 2-[1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethylidene]indene-1,3-dione Openeye Name: 2-[1-(4-benzylpiperazin-4-ium-1-yl)ethylidene]indane-1,3-dione CAS Name: 2-[1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethylidene]indene-1,3-dione IUPAC Name: 2-[1-(4-benzylpiperazin-4-ium-1-yl)ethylidene]indene-1,3-dione Traditional Name: 2-[1-(4-benzylpiperazin-4-ium-1-yl)ethylidene]indane-1,3-quinone Formula: C22H23N2O2+ MolecularWeight: 347.43022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2/c1-16(20-21(25)18-9-5-6-10-19(18)22(20)26)24-13-11-23(12-14-24)15-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3/p+1