ethyl 4-[[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]piperidin-1-ium-4-yl]carbamoylamino]benzoate CAS Name: 4-[[[[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-piperidin-1-iumyl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperidin-1-ium-4-yl]carbamoylamino]benzoate Traditional Name: 4-[[1-[2-keto-2-(piperonylamino)ethyl]piperidin-1-ium-4-yl]carbamoylamino]benzoic acid ethyl ester Formula: C25H31N4O6+ MolecularWeight: 483.53684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H30N4O6/c1-2-33-24(31)18-4-6-19(7-5-18)27-25(32)28-20-9-11-29(12-10-20)15-23(30)26-14-17-3-8-21-22(13-17)35-16-34-21/h3-8,13,20H,2,9-12,14-16H2,1H3,(H,26,30)(H2,27,28,32)/p+1