[4-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]phenyl]methylazanium

Systemtic Name: [4-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]phenyl]methylazanium Openeye Name: [4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]methylammonium CAS Name: [4-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]phenyl]methylammonium IUPAC Name: [4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]methylazanium Traditional Name: [4-[[2-(2-ketoazepan-1-yl)acetyl]amino]benzyl]ammonium Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)NC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)NC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C15H21N3O2/c16-10-12-5-7-13(8-6-12)17-14(19)11-18-9-3-1-2-4-15(18)20/h5-8H,1-4,9-11,16H2,(H,17,19)/p+1