[(3S)-1-[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylpyrrolidin-3-yl]-dimethyl-azanium

Systemtic Name: [(3S)-1-[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylpyrrolidin-3-yl]-dimethyl-azanium Openeye Name: [(3S)-1-[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]pyrrolidin-3-yl]-dimethyl-ammonium CAS Name: [(3S)-1-[[1-[4-(2-methoxyphenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-oxomethyl]-3-pyrrolidinyl]-dimethylammonium IUPAC Name: [(3S)-1-[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]pyrrolidin-3-yl]-dimethylazanium Traditional Name: [(3S)-1-[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]pyrrolidin-3-yl]-dimethyl-ammonium Formula: C22H27N6O2+ MolecularWeight: 407.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3OC)C(=O)N4CCC(C4)[NH+](C)C

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3OC)C(=O)N4CC[C@@H](C4)[NH+](C)C

InChI

InChI=1S/C22H26N6O2/c1-15-18(21(29)27-12-10-16(14-27)26(2)3)13-24-28(15)22-23-11-9-19(25-22)17-7-5-6-8-20(17)30-4/h5-9,11,13,16H,10,12,14H2,1-4H3/p+1/t16-/m0/s1