4-[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-N,N-diethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-N,N-diethyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-[3-(diethylcarbamoyl)anilino]-2-oxo-ethyl]-N,N-diethyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[2-[3-[diethylamino(oxo)methyl]anilino]-2-oxoethyl]-N,N-diethyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N,N-diethylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-[3-(diethylcarbamoyl)anilino]-2-keto-ethyl]-N,N-diethyl-piperazin-4-ium-1-carboxamide Formula: C22H36N5O3+ MolecularWeight: 418.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)N(CC)CC

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)N(CC)CC

InChI

InChI=1S/C22H35N5O3/c1-5-25(6-2)21(29)18-10-9-11-19(16-18)23-20(28)17-24-12-14-27(15-13-24)22(30)26(7-3)8-4/h9-11,16H,5-8,12-15,17H2,1-4H3,(H,23,28)/p+1