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

Systemtic Name: [4-[2-(2-oxidanylideneazocan-1-yl)ethanoylamino]phenyl]methylazanium Openeye Name: [4-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenyl]methylammonium CAS Name: [4-[[1-oxo-2-(2-oxo-1-azocanyl)ethyl]amino]phenyl]methylammonium IUPAC Name: [4-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenyl]methylazanium Traditional Name: [4-[[2-(2-ketoazocan-1-yl)acetyl]amino]benzyl]ammonium Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(C(=O)CC1)CC(=O)NC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C1CCCN(C(=O)CC1)CC(=O)NC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C16H23N3O2/c17-11-13-6-8-14(9-7-13)18-15(20)12-19-10-4-2-1-3-5-16(19)21/h6-9H,1-5,10-12,17H2,(H,18,20)/p+1