[5-butoxy-4-(7-butyl-7-ethyl-8-oxidanylidene-1,4-diazabicyclo[4.2.0]octan-4-yl)-2-methyl-phenyl]iminoazanium

Systemtic Name: [5-butoxy-4-(7-butyl-7-ethyl-8-oxidanylidene-1,4-diazabicyclo[4.2.0]octan-4-yl)-2-methyl-phenyl]iminoazanium Openeye Name: [5-butoxy-4-(7-butyl-7-ethyl-8-oxo-1,4-diazabicyclo[4.2.0]octan-4-yl)-2-methyl-phenyl]iminoammonium CAS Name: [5-butoxy-4-(7-butyl-7-ethyl-8-oxo-1,4-diazabicyclo[4.2.0]octan-4-yl)-2-methylphenyl]iminoammonium IUPAC Name: [5-butoxy-4-(7-butyl-7-ethyl-8-oxo-1,4-diazabicyclo[4.2.0]octan-4-yl)-2-methylphenyl]iminoazanium Traditional Name: [5-butoxy-4-(7-butyl-7-ethyl-8-keto-1,4-diazabicyclo[4.2.0]octan-4-yl)-2-methyl-phenyl]iminoammonium Formula: C23H37N4O2+ MolecularWeight: 401.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2CN(CCN2C1=O)C3=C(C=C(C(=C3)C)N=[NH2+])OCCCC)CC

Isomeric SMILES

CCCCC1(C2CN(CCN2C1=O)C3=C(C=C(C(=C3)C)N=[NH2+])OCCCC)CC

InChI

InChI=1S/C23H36N4O2/c1-5-8-10-23(7-3)21-16-26(11-12-27(21)22(23)28)19-14-17(4)18(25-24)15-20(19)29-13-9-6-2/h14-15,21,24H,5-13,16H2,1-4H3/p+1