3-ethoxy-4-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 3-ethoxy-4-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-ethoxy-4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethoxy]benzonitrile CAS Name: 3-ethoxy-4-[2-oxo-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethoxy]benzonitrile IUPAC Name: 3-ethoxy-4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]ethoxy]benzonitrile Traditional Name: 3-ethoxy-4-[2-keto-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]ethoxy]benzonitrile Formula: C21H29N4O4+ MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C21H28N4O4/c1-2-28-19-13-17(14-22)5-6-18(19)29-16-21(27)25-11-9-23(10-12-25)15-20(26)24-7-3-4-8-24/h5-6,13H,2-4,7-12,15-16H2,1H3/p+1