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

Systemtic Name: (3S)-3-[2-(4-methoxyphenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium Openeye Name: (3S)-3-[2-(4-methoxyphenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium CAS Name: (3S)-3-[2-(4-methoxyphenyl)ethyl]-1-[(1-methyl-4-pyrazolyl)methyl]piperidin-1-ium IUPAC Name: (3S)-3-[2-(4-methoxyphenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium Traditional Name: (3S)-3-[2-(4-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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O/c1-21-13-18(12-20-21)15-22-11-3-4-17(14-22)6-5-16-7-9-19(23-2)10-8-16/h7-10,12-13,17H,3-6,11,14-15H2,1-2H3/p+1/t17-/m1/s1