[4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]methylazanium

Systemtic Name: [4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]methylazanium Openeye Name: [4-[2-(azepan-1-yl)-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [4-[2-(1-azepanyl)-2-oxoethoxy]phenyl]methylammonium IUPAC Name: [4-[2-(azepan-1-yl)-2-oxoethoxy]phenyl]methylazanium Traditional Name: [4-[2-(azepan-1-yl)-2-keto-ethoxy]benzyl]ammonium Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C15H22N2O2/c16-11-13-5-7-14(8-6-13)19-12-15(18)17-9-3-1-2-4-10-17/h5-8H,1-4,9-12,16H2/p+1