1,3-benzodioxol-5-yl-[(3R)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3R)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3R)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3R)-1-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3R)-1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3R)-1-(5-methyl-2-pyrazol-1-yl-benzyl)piperidin-1-ium-3-yl]methanone Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCCC(C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCC[C@H](C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N3O3/c1-17-5-7-21(27-11-3-9-25-27)20(12-17)15-26-10-2-4-19(14-26)24(28)18-6-8-22-23(13-18)30-16-29-22/h3,5-9,11-13,19H,2,4,10,14-16H2,1H3/p+1/t19-/m1/s1