N,N-diethyl-2-[4-[4-[2-(ethylamino)-2-oxidanylidene-ethoxy]phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[4-[2-(ethylamino)-2-oxidanylidene-ethoxy]phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[4-[2-(ethylamino)-2-oxo-ethoxy]benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[4-[2-(ethylamino)-2-oxoethoxy]benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[4-[2-(ethylamino)-2-keto-ethoxy]benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H33N4O4+ MolecularWeight: 405.51112

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N(CC)CC

Isomeric SMILES

CCNC(=O)COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N(CC)CC

InChI

InChI=1S/C21H32N4O4/c1-4-22-19(26)16-29-18-9-7-17(8-10-18)21(28)25-13-11-23(12-14-25)15-20(27)24(5-2)6-3/h7-10H,4-6,11-16H2,1-3H3,(H,22,26)/p+1