(E)-3-(2-methoxy-5-methyl-phenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-methoxy-5-methyl-phenyl)prop-2-en-1-one CAS Name: (E)-3-(2-methoxy-5-methylphenyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-methoxy-5-methylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-methoxy-5-methyl-phenyl)prop-2-en-1-one Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2/c1-18-8-10-21(26-2)20(16-18)9-11-22(25)24-14-12-23(13-15-24)17-19-6-4-3-5-7-19/h3-11,16H,12-15,17H2,1-2H3/p+1/b11-9+