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

Systemtic Name: 4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-N-[[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methyl]pyrimidin-2-amine Openeye Name: N-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]methyl]-4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)pyrimidin-2-amine CAS Name: 4-(1-ethyl-3,5-dimethyl-4-pyrazolyl)-N-[[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]methyl]-2-pyrimidinamine IUPAC Name: N-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine Traditional Name: [(3R)-1-benzylpyrrolidin-1-ium-3-yl]methyl-[4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)pyrimidin-2-yl]amine Formula: C23H31N6+ MolecularWeight: 391.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C2=NC(=NC=C2)NCC3CC[NH+](C3)CC4=CC=CC=C4)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C2=NC(=NC=C2)NC[C@H]3CC[NH+](C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H30N6/c1-4-29-18(3)22(17(2)27-29)21-10-12-24-23(26-21)25-14-20-11-13-28(16-20)15-19-8-6-5-7-9-19/h5-10,12,20H,4,11,13-16H2,1-3H3,(H,24,25,26)/p+1/t20-/m1/s1