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

Systemtic Name: N-[2-[1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-(4-methoxy-3-methyl-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C25H29N4O4+ MolecularWeight: 449.52216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C25H28N4O4/c1-17-13-18(3-5-21(17)31-2)15-28-11-8-20(9-12-28)29-24(7-10-26-29)27-25(30)19-4-6-22-23(14-19)33-16-32-22/h3-7,10,13-14,20H,8-9,11-12,15-16H2,1-2H3,(H,27,30)/p+1