4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ium-1-yl-ethyl]pyrimidin-2-amine

Systemtic Name: 4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ium-1-yl-ethyl]pyrimidin-2-amine Openeye Name: 4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-N-[(2R)-2-(3-pyridyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pyrimidin-2-amine CAS Name: 4-(1-ethyl-3,5-dimethyl-4-pyrazolyl)-N-[(2R)-2-(3-pyridinyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-pyrimidinamine IUPAC Name: 4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ium-1-ylethyl]pyrimidin-2-amine Traditional Name: [4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)pyrimidin-2-yl]-[(2R)-2-(3-pyridyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amine Formula: C22H30N7+ MolecularWeight: 392.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C2=NC(=NC=C2)NCC(C3=CN=CC=C3)[NH+]4CCCC4)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C2=NC(=NC=C2)NC[C@@H](C3=CN=CC=C3)[NH+]4CCCC4)C

InChI

InChI=1S/C22H29N7/c1-4-29-17(3)21(16(2)27-29)19-9-11-24-22(26-19)25-15-20(28-12-5-6-13-28)18-8-7-10-23-14-18/h7-11,14,20H,4-6,12-13,15H2,1-3H3,(H,24,25,26)/p+1/t20-/m0/s1