[4-[3-(2-oxidanylideneazepan-1-yl)propanoylamino]phenyl]methylazanium

Systemtic Name: [4-[3-(2-oxidanylideneazepan-1-yl)propanoylamino]phenyl]methylazanium Openeye Name: [4-[3-(2-oxoazepan-1-yl)propanoylamino]phenyl]methylammonium CAS Name: [4-[[1-oxo-3-(2-oxo-1-azepanyl)propyl]amino]phenyl]methylammonium IUPAC Name: [4-[3-(2-oxoazepan-1-yl)propanoylamino]phenyl]methylazanium Traditional Name: [4-[3-(2-ketoazepan-1-yl)propanoylamino]benzyl]ammonium Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c17-12-13-5-7-14(8-6-13)18-15(20)9-11-19-10-3-1-2-4-16(19)21/h5-8H,1-4,9-12,17H2,(H,18,20)/p+1