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

Systemtic Name: 3-methoxy-4-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethoxy]benzonitrile CAS Name: 3-methoxy-4-[2-oxo-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethoxy]benzonitrile IUPAC Name: 3-methoxy-4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]ethoxy]benzonitrile Traditional Name: 4-[2-keto-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]ethoxy]-3-methoxy-benzonitrile Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C20H26N4O4/c1-27-18-12-16(13-21)4-5-17(18)28-15-20(26)24-10-8-22(9-11-24)14-19(25)23-6-2-3-7-23/h4-5,12H,2-3,6-11,14-15H2,1H3/p+1