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

Systemtic Name: 2-[1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethylidene]indene-1,3-dione Openeye Name: 2-[1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]ethylidene]indane-1,3-dione CAS Name: 2-[1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethylidene]indene-1,3-dione IUPAC Name: 2-[1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethylidene]indene-1,3-dione Traditional Name: 2-[1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]ethylidene]indane-1,3-quinone Formula: C24H25N2O2+ MolecularWeight: 373.4675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O2/c1-18(22-23(27)20-11-5-6-12-21(20)24(22)28)26-16-14-25(15-17-26)13-7-10-19-8-3-2-4-9-19/h2-12H,13-17H2,1H3/p+1/b10-7+