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

Systemtic Name: (3R)-1-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[1-(6-methoxy-3-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)N2C=CC=C2C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

COC1=NC=C(C=C1)N2C=CC=C2C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C17H22N4O2/c1-23-16-7-6-14(10-19-16)21-9-3-5-15(21)12-20-8-2-4-13(11-20)17(18)22/h3,5-7,9-10,13H,2,4,8,11-12H2,1H3,(H2,18,22)/p+1/t13-/m1/s1