N-[2-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C23H29N6O3+ MolecularWeight: 437.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=NC(=C(N1)C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H28N6O3/c1-3-21-25-15(2)18(26-21)13-28-10-7-17(8-11-28)29-22(6-9-24-29)27-23(30)16-4-5-19-20(12-16)32-14-31-19/h4-6,9,12,17H,3,7-8,10-11,13-14H2,1-2H3,(H,25,26)(H,27,30)/p+1