2-[(2S)-1-[5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonylpiperidin-2-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2S)-1-[5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonylpiperidin-2-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-1-[5-(methoxymethyl)-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-2-piperidyl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-1-[[5-(methoxymethyl)-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-oxomethyl]-2-piperidinyl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-1-[5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-2-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-1-[5-(methoxymethyl)-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-2-piperidyl]ethyl-dimethyl-ammonium Formula: C23H31N6O2S+ MolecularWeight: 455.59624

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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=CS4)COC

Isomeric SMILES

C[NH+](C)CC[C@@H]1CCCCN1C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CS4)COC

InChI

InChI=1S/C23H30N6O2S/c1-27(2)13-10-17-7-4-5-12-28(17)22(30)18-15-25-29(20(18)16-31-3)23-24-11-9-19(26-23)21-8-6-14-32-21/h6,8-9,11,14-15,17H,4-5,7,10,12-13,16H2,1-3H3/p+1/t17-/m0/s1