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

Systemtic Name: (3R)-1-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[[1-(6-methyl-2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[1-(6-methyl-2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[[1-(6-methyl-2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C=CC=C2C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CC1=NC(=CC=C1)N2C=CC=C2C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C17H22N4O/c1-13-5-2-8-16(19-13)21-10-4-7-15(21)12-20-9-3-6-14(11-20)17(18)22/h2,4-5,7-8,10,14H,3,6,9,11-12H2,1H3,(H2,18,22)/p+1/t14-/m1/s1