(3R)-1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[1-(4,6-dimethyl-2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C17H24N5O+ MolecularWeight: 314.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+]3CCCC(C3)C(=O)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+]3CCC[C@H](C3)C(=O)N)C

InChI

InChI=1S/C17H23N5O/c1-12-9-13(2)20-17(19-12)22-8-4-6-15(22)11-21-7-3-5-14(10-21)16(18)23/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H2,18,23)/p+1/t14-/m1/s1