2,2-dimethyl-1,2-oxaziridin-2-ium-3-one; 2-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]quinoline

Systemtic Name: 2,2-dimethyl-1,2-oxaziridin-2-ium-3-one; 2-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]quinoline Openeye Name: 2,2-dimethyloxaziridin-2-ium-3-one; 2-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]quinoline CAS Name: 2,2-dimethyl-3-oxaziridin-2-iumone; 2-[4-[1-(4-methoxyphenyl)ethyl]-1-piperazinyl]quinoline IUPAC Name: 2,2-dimethyloxaziridin-2-ium-3-one; 2-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]quinoline Traditional Name: 2,2-dimethyloxaziridin-2-ium-3-one; 2-[4-[1-(4-methoxyphenyl)ethyl]piperazino]quinoline Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)N2CCN(CC2)C3=NC4=CC=CC=C4C=C3.C[N+]1(C(=O)O1)C

Isomeric SMILES

CC(C1=CC=C(C=C1)OC)N2CCN(CC2)C3=NC4=CC=CC=C4C=C3.C[N+]1(C(=O)O1)C

InChI

InChI=1S/C22H25N3O.C3H6NO2/c1-17(18-7-10-20(26-2)11-8-18)24-13-15-25(16-14-24)22-12-9-19-5-3-4-6-21(19)23-22;1-4(2)3(5)6-4/h3-12,17H,13-16H2,1-2H3;1-2H3/q;+1