(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1-pyrazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2)OCCO3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2)OCCO3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

InChI

InChI=1S/C24H26N4O3/c29-24(26-20-5-1-6-21(15-20)28-11-3-9-25-28)19-4-2-10-27(17-19)16-18-7-8-22-23(14-18)31-13-12-30-22/h1,3,5-9,11,14-15,19H,2,4,10,12-13,16-17H2,(H,26,29)/p+1/t19-/m0/s1