(Z)-4-[4-(1-methylpiperazin-1-ium-1-yl)phenyl]pent-3-en-2-one

Systemtic Name: (Z)-4-[4-(1-methylpiperazin-1-ium-1-yl)phenyl]pent-3-en-2-one Openeye Name: (Z)-4-[4-(1-methylpiperazin-1-ium-1-yl)phenyl]pent-3-en-2-one CAS Name: (Z)-4-[4-(1-methyl-1-piperazin-1-iumyl)phenyl]-3-penten-2-one IUPAC Name: (Z)-4-[4-(1-methylpiperazin-1-ium-1-yl)phenyl]pent-3-en-2-one Traditional Name: (Z)-4-[4-(1-methylpiperazin-1-ium-1-yl)phenyl]pent-3-en-2-one Formula: C16H23N2O+ MolecularWeight: 259.36662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)C1=CC=C(C=C1)[N+]2(CCNCC2)C

Isomeric SMILES

C/C(=C/C(=O)C)/C1=CC=C(C=C1)[N+]2(CCNCC2)C

InChI

InChI=1S/C16H23N2O/c1-13(12-14(2)19)15-4-6-16(7-5-15)18(3)10-8-17-9-11-18/h4-7,12,17H,8-11H2,1-3H3/q+1/b13-12-