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

Systemtic Name: 4-[(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]morpholine Openeye Name: 4-[(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]morpholine CAS Name: 4-[(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumyl]morpholine IUPAC Name: 4-[(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]morpholine Traditional Name: 4-[(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]morpholine Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCCC(C3)N4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCC[C@@H](C3)N4CCOCC4

InChI

InChI=1S/C20H28N4O2/c1-25-19-6-4-16(5-7-19)20-17(13-21-22-20)14-23-8-2-3-18(15-23)24-9-11-26-12-10-24/h4-7,13,18H,2-3,8-12,14-15H2,1H3,(H,21,22)/p+1/t18-/m0/s1