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

Systemtic Name: [2-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethoxy]phenyl]methylazanium Openeye Name: [2-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [2-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxoethoxy]phenyl]methylammonium IUPAC Name: [2-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxoethoxy]phenyl]methylazanium Traditional Name: [2-[2-keto-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethoxy]benzyl]ammonium Formula: C15H25N3O2+2 MolecularWeight: 279.3779

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)COC2=CC=CC=C2C[NH3+]

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)COC2=CC=CC=C2C[NH3+]

InChI

InChI=1S/C15H23N3O2/c1-17-7-4-8-18(10-9-17)15(19)12-20-14-6-3-2-5-13(14)11-16/h2-3,5-6H,4,7-12,16H2,1H3/p+2