(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-phenethylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-phenethylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-phenethylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-phenethyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-phenethylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-phenethylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4)OC1

InChI

InChI=1S/C24H28N2O3/c27-24(10-8-21-7-9-22-23(19-21)29-18-4-17-28-22)26-15-13-25(14-16-26)12-11-20-5-2-1-3-6-20/h1-3,5-10,19H,4,11-18H2/p+1/b10-8+