4-(1-methylpyrazol-4-yl)-N-[[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methyl]pyrimidin-2-amine

Systemtic Name: 4-(1-methylpyrazol-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-methylpyrazol-4-yl)pyrimidin-2-amine CAS Name: 4-(1-methyl-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-methylpyrazol-4-yl)pyrimidin-2-amine Traditional Name: [(3R)-1-benzylpyrrolidin-1-ium-3-yl]methyl-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amine Formula: C20H25N6+ MolecularWeight: 349.4527

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NC(=NC=C2)NCC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C2=NC(=NC=C2)NC[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N6/c1-25-15-18(12-23-25)19-7-9-21-20(24-19)22-11-17-8-10-26(14-17)13-16-5-3-2-4-6-16/h2-7,9,12,15,17H,8,10-11,13-14H2,1H3,(H,21,22,24)/p+1/t17-/m1/s1