2-[(2S)-1-[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]carbonylpiperidin-2-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2S)-1-[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]carbonylpiperidin-2-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-1-[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-2-piperidyl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-1-[[5-cyclopropyl-1-[4-(2-methoxyphenyl)-2-pyrimidinyl]-4-pyrazolyl]-oxomethyl]-2-piperidinyl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-1-[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]piperidin-2-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-1-[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-2-piperidyl]ethyl-dimethyl-ammonium Formula: C27H35N6O2+ MolecularWeight: 475.6058

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC1CCCCN1C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CC=C4OC)C5CC5

Isomeric SMILES

C[NH+](C)CC[C@@H]1CCCCN1C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CC=C4OC)C5CC5

InChI

InChI=1S/C27H34N6O2/c1-31(2)17-14-20-8-6-7-16-32(20)26(34)22-18-29-33(25(22)19-11-12-19)27-28-15-13-23(30-27)21-9-4-5-10-24(21)35-3/h4-5,9-10,13,15,18-20H,6-8,11-12,14,16-17H2,1-3H3/p+1/t20-/m0/s1