(E)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-quinolin-8-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-quinolin-8-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-(8-quinolyl)prop-2-en-1-one CAS Name: (E)-1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-3-(8-quinolinyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-quinolin-8-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-(8-quinolyl)prop-2-en-1-one Formula: C24H26N3O2+ MolecularWeight: 388.48214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C24H25N3O2/c28-23(12-11-21-7-4-6-20-8-5-13-25-24(20)21)27-16-14-26(15-17-27)18-19-29-22-9-2-1-3-10-22/h1-13H,14-19H2/p+1/b12-11+