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

Systemtic Name: (E)-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-quinolin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-(2-quinolyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-(2-quinolinyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-quinolin-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-3-(2-quinolyl)prop-2-en-1-one Formula: C23H23ClN3O+ MolecularWeight: 392.90122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H22ClN3O/c24-20-8-5-18(6-9-20)17-26-13-15-27(16-14-26)23(28)12-11-21-10-7-19-3-1-2-4-22(19)25-21/h1-12H,13-17H2/p+1/b12-11+