2-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]azetidin-1-yl]-4-(3-methyl-1-propyl-pyrazol-4-yl)pyrimidine

Systemtic Name: 2-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]azetidin-1-yl]-4-(3-methyl-1-propyl-pyrazol-4-yl)pyrimidine Openeye Name: 2-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]azetidin-1-yl]-4-(3-methyl-1-propyl-pyrazol-4-yl)pyrimidine CAS Name: 2-[3-[(2R)-2-methyl-1-piperidin-1-iumyl]-1-azetidinyl]-4-(3-methyl-1-propyl-4-pyrazolyl)pyrimidine IUPAC Name: 2-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine Traditional Name: 2-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]azetidin-1-yl]-4-(3-methyl-1-propyl-pyrazol-4-yl)pyrimidine Formula: C20H31N6+ MolecularWeight: 355.50034

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C2=NC(=NC=C2)N3CC(C3)[NH+]4CCCCC4C

Isomeric SMILES

CCCN1C=C(C(=N1)C)C2=NC(=NC=C2)N3CC(C3)[NH+]4CCCC[C@H]4C

InChI

InChI=1S/C20H30N6/c1-4-10-25-14-18(16(3)23-25)19-8-9-21-20(22-19)24-12-17(13-24)26-11-6-5-7-15(26)2/h8-9,14-15,17H,4-7,10-13H2,1-3H3/p+1/t15-/m1/s1