N-(1,3-benzodioxol-5-yl)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C25H29N4O4+ MolecularWeight: 449.52216

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NCCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H28N4O4/c30-24(26-10-7-18-14-27-21-4-2-1-3-20(18)21)15-29-11-8-17(9-12-29)25(31)28-19-5-6-22-23(13-19)33-16-32-22/h1-6,13-14,17,27H,7-12,15-16H2,(H,26,30)(H,28,31)/p+1