6-[(3S)-1-[(E)-3-(5-chloranyl-2-oxidanyl-phenyl)-2-methyl-prop-2-enyl]piperidin-1-ium-3-yl]-2-methyl-1H-pyrimidin-4-one

Systemtic Name: 6-[(3S)-1-[(E)-3-(5-chloranyl-2-oxidanyl-phenyl)-2-methyl-prop-2-enyl]piperidin-1-ium-3-yl]-2-methyl-1H-pyrimidin-4-one Openeye Name: 6-[(3S)-1-[(E)-3-(5-chloro-2-hydroxy-phenyl)-2-methyl-allyl]piperidin-1-ium-3-yl]-2-methyl-1H-pyrimidin-4-one CAS Name: 6-[(3S)-1-[(E)-3-(5-chloro-2-hydroxyphenyl)-2-methylprop-2-enyl]-3-piperidin-1-iumyl]-2-methyl-1H-pyrimidin-4-one IUPAC Name: 6-[(3S)-1-[(E)-3-(5-chloro-2-hydroxyphenyl)-2-methylprop-2-enyl]piperidin-1-ium-3-yl]-2-methyl-1H-pyrimidin-4-one Traditional Name: 6-[(3S)-1-[(E)-3-(5-chloro-2-hydroxy-phenyl)-2-methyl-allyl]piperidin-1-ium-3-yl]-2-methyl-1H-pyrimidin-4-one Formula: C20H25ClN3O2+ MolecularWeight: 374.8844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C=C(N1)C2CCC[NH+](C2)CC(=CC3=C(C=CC(=C3)Cl)O)C

Isomeric SMILES

CC1=NC(=O)C=C(N1)[C@H]2CCC[NH+](C2)C/C(=C/C3=C(C=CC(=C3)Cl)O)/C

InChI

InChI=1S/C20H24ClN3O2/c1-13(8-16-9-17(21)5-6-19(16)25)11-24-7-3-4-15(12-24)18-10-20(26)23-14(2)22-18/h5-6,8-10,15,25H,3-4,7,11-12H2,1-2H3,(H,22,23,26)/p+1/b13-8+/t15-/m0/s1