4-(4-chloranyl-3-methyl-phenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]butan-1-one CAS Name: 4-(4-chloro-3-methylphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 4-(4-chloro-3-methylphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]butan-1-one Formula: C24H30ClN2O2+ MolecularWeight: 413.9602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)Cl

InChI

InChI=1S/C24H29ClN2O2/c1-20-19-22(11-12-23(20)25)29-18-6-10-24(28)27-16-14-26(15-17-27)13-5-9-21-7-3-2-4-8-21/h2-5,7-9,11-12,19H,6,10,13-18H2,1H3/p+1/b9-5+