4-(1,3-benzodioxol-5-yl)-2-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-(1,3-benzodioxol-5-yl)-2-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]phenol Formula: C24H25N2O3+ MolecularWeight: 389.4669

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)CC3=C(C=CC(=C3)C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CN=CC=C2)CC3=C(C=CC(=C3)C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C24H24N2O3/c27-22-8-6-17(18-7-9-23-24(13-18)29-16-28-23)12-20(22)15-26-11-2-1-5-21(26)19-4-3-10-25-14-19/h3-4,6-10,12-14,21,27H,1-2,5,11,15-16H2/p+1/t21-/m0/s1