[(3R)-1-[(2R)-1-phenoxypropan-2-yl]piperidin-1-ium-3-yl]-pyridin-3-yl-methanone

Systemtic Name: [(3R)-1-[(2R)-1-phenoxypropan-2-yl]piperidin-1-ium-3-yl]-pyridin-3-yl-methanone Openeye Name: [(3R)-1-[(1R)-1-methyl-2-phenoxy-ethyl]piperidin-1-ium-3-yl]-(3-pyridyl)methanone CAS Name: [(3R)-1-[(2R)-1-phenoxypropan-2-yl]-3-piperidin-1-iumyl]-(3-pyridinyl)methanone IUPAC Name: [(3R)-1-[(2R)-1-phenoxypropan-2-yl]piperidin-1-ium-3-yl]-pyridin-3-ylmethanone Traditional Name: [(3R)-1-[(1R)-1-methyl-2-phenoxy-ethyl]piperidin-1-ium-3-yl]-(3-pyridyl)methanone Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1)[NH+]2CCCC(C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

C[C@H](COC1=CC=CC=C1)[NH+]2CCC[C@H](C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H24N2O2/c1-16(15-24-19-9-3-2-4-10-19)22-12-6-8-18(14-22)20(23)17-7-5-11-21-13-17/h2-5,7,9-11,13,16,18H,6,8,12,14-15H2,1H3/p+1/t16-,18-/m1/s1