2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]oxazole CAS Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]oxazole IUPAC Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]oxazole Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C(=C2)OC)OCO3)C[NH+]4CCCCC4C5=CN=CC=C5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C(=C2)OC)OCO3)C[NH+]4CCCC[C@H]4C5=CN=CC=C5

InChI

InChI=1S/C23H25N3O4/c1-15-18(13-26-9-4-3-7-19(26)16-6-5-8-24-12-16)25-23(30-15)17-10-20(27-2)22-21(11-17)28-14-29-22/h5-6,8,10-12,19H,3-4,7,9,13-14H2,1-2H3/p+1/t19-/m0/s1