N-(1,3-benzodioxol-5-yl)-1-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-[[(2,3-dimethylanilino)-oxomethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C24H29N4O5+ MolecularWeight: 453.51086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C24H28N4O5/c1-15-4-3-5-19(16(15)2)26-24(31)27-22(29)13-28-10-8-17(9-11-28)23(30)25-18-6-7-20-21(12-18)33-14-32-20/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,25,30)(H2,26,27,29,31)/p+1