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

Systemtic Name: (3R,4R)-4-morpholin-4-ium-4-yl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-morpholin-4-ium-4-yl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(4-morpholin-4-iumyl)-1-[[4-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-morpholin-4-ium-4-yl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-morpholin-4-ium-4-yl-1-(4-pyrazol-1-ylbenzyl)piperidin-1-ium-3-ol Formula: C19H28N4O2+2 MolecularWeight: 344.45122

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH+]2CCOCC2)O)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1[NH+]2CCOCC2)O)CC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C19H26N4O2/c24-19-15-21(9-6-18(19)22-10-12-25-13-11-22)14-16-2-4-17(5-3-16)23-8-1-7-20-23/h1-5,7-8,18-19,24H,6,9-15H2/p+2/t18-,19-/m1/s1