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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]-N-piperonyl-piperidin-1-ium-4-carboxamide Formula: C28H30N5O3+ MolecularWeight: 484.5695

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=C(N(N=C4)C5=CC=CC=C5)N6C=CC=C6

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=C(N(N=C4)C5=CC=CC=C5)N6C=CC=C6

InChI

InChI=1S/C28H29N5O3/c34-27(29-17-21-8-9-25-26(16-21)36-20-35-25)22-10-14-31(15-11-22)19-23-18-30-33(24-6-2-1-3-7-24)28(23)32-12-4-5-13-32/h1-9,12-13,16,18,22H,10-11,14-15,17,19-20H2,(H,29,34)/p+1