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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC(C[NH+](C1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

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