cyclooctyl-[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclooctyl-[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl]azanium Traditional Name: cyclooctyl-[2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl]ammonium Formula: C18H29N4O3+ MolecularWeight: 349.44786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O3/c23-18(14-21-15-6-4-2-1-3-5-7-15)20-13-12-19-16-8-10-17(11-9-16)22(24)25/h8-11,15,19,21H,1-7,12-14H2,(H,20,23)/p+1