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

Systemtic Name: N-[2-[1-[(2R)-2,6-dimethylhept-5-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-[(2R)-2,6-dimethylhept-5-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-[(2R)-2,6-dimethylhept-5-enyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-[(2R)-2,6-dimethylhept-5-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-[(2R)-2,6-dimethylhept-5-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C25H35N4O3+ MolecularWeight: 439.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](CCC=C(C)C)C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H34N4O3/c1-18(2)5-4-6-19(3)16-28-13-10-21(11-14-28)29-24(9-12-26-29)27-25(30)20-7-8-22-23(15-20)32-17-31-22/h5,7-9,12,15,19,21H,4,6,10-11,13-14,16-17H2,1-3H3,(H,27,30)/p+1/t19-/m1/s1