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

Systemtic Name: (6R)-4-[(E)-3-(furan-2-yl)prop-2-enyl]-6-methyl-1-(2-methylsulfanylphenyl)piperazin-4-ium-2-one Openeye Name: (6R)-4-[(E)-3-(2-furyl)allyl]-6-methyl-1-(2-methylsulfanylphenyl)piperazin-4-ium-2-one CAS Name: (6R)-4-[(E)-3-(2-furanyl)prop-2-enyl]-6-methyl-1-[2-(methylthio)phenyl]-2-piperazin-4-iumone IUPAC Name: (6R)-4-[(E)-3-(furan-2-yl)prop-2-enyl]-6-methyl-1-(2-methylsulfanylphenyl)piperazin-4-ium-2-one Traditional Name: (6R)-4-[(E)-3-(2-furyl)allyl]-6-methyl-1-[2-(methylthio)phenyl]piperazin-4-ium-2-one Formula: C19H23N2O2S+ MolecularWeight: 343.46312

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC=CC=C2SC)CC=CC3=CC=CO3

Isomeric SMILES

C[C@@H]1C[NH+](CC(=O)N1C2=CC=CC=C2SC)C/C=C/C3=CC=CO3

InChI

InChI=1S/C19H22N2O2S/c1-15-13-20(11-5-7-16-8-6-12-23-16)14-19(22)21(15)17-9-3-4-10-18(17)24-2/h3-10,12,15H,11,13-14H2,1-2H3/p+1/b7-5+/t15-/m1/s1