1-[4-[4-[(2-prop-2-enoxyphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(2-prop-2-enoxyphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(2-allyloxyphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2-prop-2-enoxyphenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2-prop-2-enoxyphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(2-allyloxybenzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3OCC=C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3OCC=C

InChI

InChI=1S/C22H26N2O2/c1-3-16-26-22-7-5-4-6-20(22)17-23-12-14-24(15-13-23)21-10-8-19(9-11-21)18(2)25/h3-11H,1,12-17H2,2H3/p+1