(6S)-4-[(E)-3-(furan-2-yl)prop-2-enyl]-6-methyl-1-(2-methylphenyl)piperazin-4-ium-2-one

Systemtic Name: (6S)-4-[(E)-3-(furan-2-yl)prop-2-enyl]-6-methyl-1-(2-methylphenyl)piperazin-4-ium-2-one Openeye Name: (6S)-4-[(E)-3-(2-furyl)allyl]-6-methyl-1-(o-tolyl)piperazin-4-ium-2-one CAS Name: (6S)-4-[(E)-3-(2-furanyl)prop-2-enyl]-6-methyl-1-(2-methylphenyl)-2-piperazin-4-iumone IUPAC Name: (6S)-4-[(E)-3-(furan-2-yl)prop-2-enyl]-6-methyl-1-(2-methylphenyl)piperazin-4-ium-2-one Traditional Name: (6S)-4-[(E)-3-(2-furyl)allyl]-6-methyl-1-(o-tolyl)piperazin-4-ium-2-one Formula: C19H23N2O2+ MolecularWeight: 311.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC=CC=C2C)CC=CC3=CC=CO3

Isomeric SMILES

C[C@H]1C[NH+](CC(=O)N1C2=CC=CC=C2C)C/C=C/C3=CC=CO3

InChI

InChI=1S/C19H22N2O2/c1-15-7-3-4-10-18(15)21-16(2)13-20(14-19(21)22)11-5-8-17-9-6-12-23-17/h3-10,12,16H,11,13-14H2,1-2H3/p+1/b8-5+/t16-/m0/s1