N-[[(3R)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[(3R)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[(3R)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(3R)-1-[[2,4-dimethyl-6-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[(3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[(3R)-1-(2,4-dimethyl-6-pyrazol-1-yl-benzyl)piperidin-1-ium-3-yl]methyl]-piperonylamide Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3/c1-18-11-19(2)22(23(12-18)30-10-4-8-28-30)16-29-9-3-5-20(15-29)14-27-26(31)21-6-7-24-25(13-21)33-17-32-24/h4,6-8,10-13,20H,3,5,9,14-17H2,1-2H3,(H,27,31)/p+1/t20-/m1/s1