(3R)-3-[2-(3-methoxyphenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium

Systemtic Name: (3R)-3-[2-(3-methoxyphenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium Openeye Name: (3R)-3-[2-(3-methoxyphenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium CAS Name: (3R)-3-[2-(3-methoxyphenyl)ethyl]-1-[(1-methyl-4-pyrazolyl)methyl]piperidin-1-ium IUPAC Name: (3R)-3-[2-(3-methoxyphenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium Traditional Name: (3R)-3-[2-(3-methoxyphenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium Formula: C19H28N3O+ MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)CCC3=CC(=CC=C3)OC

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@H](C2)CCC3=CC(=CC=C3)OC

InChI

InChI=1S/C19H27N3O/c1-21-13-18(12-20-21)15-22-10-4-6-17(14-22)9-8-16-5-3-7-19(11-16)23-2/h3,5,7,11-13,17H,4,6,8-10,14-15H2,1-2H3/p+1/t17-/m0/s1