(3S)-1-(oxan-4-yl)-3-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: (3S)-1-(oxan-4-yl)-3-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: (3S)-3-(4-benzyl-1H-pyrazol-5-yl)-1-tetrahydropyran-4-yl-piperidin-1-ium CAS Name: (3S)-1-(4-oxanyl)-3-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: (3S)-3-(4-benzyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidin-1-ium Traditional Name: (3S)-3-(4-benzyl-1H-pyrazol-5-yl)-1-tetrahydropyran-4-yl-piperidin-1-ium Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCOCC2)C3=C(C=NN3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCOCC2)C3=C(C=NN3)CC4=CC=CC=C4

InChI

InChI=1S/C20H27N3O/c1-2-5-16(6-3-1)13-18-14-21-22-20(18)17-7-4-10-23(15-17)19-8-11-24-12-9-19/h1-3,5-6,14,17,19H,4,7-13,15H2,(H,21,22)/p+1/t17-/m0/s1