[3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]phenyl]methylazanium

Systemtic Name: [3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]phenyl]methylazanium Openeye Name: [3-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]methylammonium CAS Name: [3-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]phenyl]methylammonium IUPAC Name: [3-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]methylazanium Traditional Name: [3-[[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=CC(=C2)C[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2/c16-10-12-5-4-6-13(9-12)17-14(19)11-18-8-3-1-2-7-15(18)20/h4-6,9H,1-3,7-8,10-11,16H2,(H,17,19)/p+1