4-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethoxy]benzonitrile Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)COC2=CC=C(C=C2)C#N

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)COC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H19N3O2/c1-17-7-2-8-18(10-9-17)15(19)12-20-14-5-3-13(11-16)4-6-14/h3-6H,2,7-10,12H2,1H3/p+1