(3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium

Systemtic Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium Openeye Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium CAS Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium IUPAC Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium Traditional Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-p-anisyl-piperidin-1-ium Formula: C18H26N3O+ MolecularWeight: 300.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN=C1)C2CCC[NH+](C2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=C(NN=C1)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H25N3O/c1-3-15-11-19-20-18(15)16-5-4-10-21(13-16)12-14-6-8-17(22-2)9-7-14/h6-9,11,16H,3-5,10,12-13H2,1-2H3,(H,19,20)/p+1/t16-/m0/s1