N-(1,3-benzodioxol-4-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-6-(1H-pyrazol-2-ium-2-yl)pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-6-(1H-pyrazol-2-ium-2-yl)pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-6-(1H-pyrazol-2-ium-2-yl)pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-6-(1H-pyrazol-2-ium-2-yl)-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-6-(1H-pyrazol-2-ium-2-yl)pyridine-3-carboxamide Traditional Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-6-(1H-pyrazol-2-ium-2-yl)nicotinamide Formula: C27H24N5O3+ MolecularWeight: 466.51116

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)CN(CCC3=CNC4=CC=CC=C43)C(=O)C5=CN=C(C=C5)[N+]6=CC=CN6

Isomeric SMILES

C1OC2=CC=CC(=C2O1)CN(CCC3=CNC4=CC=CC=C43)C(=O)C5=CN=C(C=C5)[N+]6=CC=CN6

InChI

InChI=1S/C27H23N5O3/c33-27(20-9-10-25(29-16-20)32-13-4-12-30-32)31(17-21-5-3-8-24-26(21)35-18-34-24)14-11-19-15-28-23-7-2-1-6-22(19)23/h1-10,12-13,15-16,28H,11,14,17-18H2/p+1