(E)-3-(3-methylphenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-methylphenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(m-tolyl)prop-2-en-1-one CAS Name: (E)-3-(3-methylphenyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(3-methylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(m-tolyl)prop-2-en-1-one Formula: C21H25N2O+ MolecularWeight: 321.436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O/c1-18-6-5-9-19(16-18)10-11-21(24)23-14-12-22(13-15-23)17-20-7-3-2-4-8-20/h2-11,16H,12-15,17H2,1H3/p+1/b11-10+