4-(2-methyl-1,2,4-triazol-3-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(2-methyl-1,2,4-triazol-3-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrimidin-2-amine Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine CAS Name: 4-(2-methyl-1,2,4-triazol-3-yl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-pyrimidinamine IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amine Formula: C18H22N7+ MolecularWeight: 336.41418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC=N1)C2=NC(=NC=C2)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7/c1-24-17(20-13-21-24)16-7-9-19-18(23-16)22-15-8-10-25(12-15)11-14-5-3-2-4-6-14/h2-7,9,13,15H,8,10-12H2,1H3,(H,19,22,23)/p+1/t15-/m0/s1