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

Systemtic Name: (E)-3-(furan-2-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-furyl)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-furanyl)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(furan-2-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-furyl)-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C19H23N2O2+ MolecularWeight: 311.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C=CC3=CC=CO3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C19H22N2O2/c1-16-5-2-3-6-17(16)15-20-10-12-21(13-11-20)19(22)9-8-18-7-4-14-23-18/h2-9,14H,10-13,15H2,1H3/p+1/b9-8+