4-[(3S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-1-ium-3-yl]morpholine

Systemtic Name: 4-[(3S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-1-ium-3-yl]morpholine Openeye Name: 4-[(3S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-1-ium-3-yl]morpholine CAS Name: 4-[(3S)-1-[[4-methoxy-3-(1-pyrazolylmethyl)phenyl]methyl]-3-piperidin-1-iumyl]morpholine IUPAC Name: 4-[(3S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-1-ium-3-yl]morpholine Traditional Name: 4-[(3S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzyl]piperidin-1-ium-3-yl]morpholine Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCC(C2)N3CCOCC3)CN4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC[C@@H](C2)N3CCOCC3)CN4C=CC=N4

InChI

InChI=1S/C21H30N4O2/c1-26-21-6-5-18(14-19(21)16-25-9-3-7-22-25)15-23-8-2-4-20(17-23)24-10-12-27-13-11-24/h3,5-7,9,14,20H,2,4,8,10-13,15-17H2,1H3/p+1/t20-/m0/s1