(3S)-1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C3C(=CC=C2)OCO3)C(=O)NC4=CC=C(C=C4)C5=CC=NN5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C3C(=CC=C2)OCO3)C(=O)NC4=CC=C(C=C4)C5=CC=NN5

InChI

InChI=1S/C23H24N4O3/c28-23(25-19-8-6-16(7-9-19)20-10-11-24-26-20)18-4-2-12-27(14-18)13-17-3-1-5-21-22(17)30-15-29-21/h1,3,5-11,18H,2,4,12-15H2,(H,24,26)(H,25,28)/p+1/t18-/m0/s1