(3R,4R)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[[4-methoxy-3-(1-pyrazolylmethyl)phenyl]methyl]-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Formula: C21H32N4O3+2 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(C(C2)O)[NH+]3CCOCC3)CN4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCOCC3)CN4C=CC=N4

InChI

InChI=1S/C21H30N4O3/c1-27-21-4-3-17(13-18(21)15-25-7-2-6-22-25)14-23-8-5-19(20(26)16-23)24-9-11-28-12-10-24/h2-4,6-7,13,19-20,26H,5,8-12,14-16H2,1H3/p+2/t19-,20-/m1/s1