4-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)butan-2-yliminomethylazanium

Systemtic Name: 4-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)butan-2-yliminomethylazanium Openeye Name: [1-methyl-3-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)propyl]iminomethylammonium CAS Name: 4-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)butan-2-yliminomethylammonium IUPAC Name: 4-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)butan-2-yliminomethylazanium Traditional Name: [1-methyl-3-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)propyl]iminomethylammonium Formula: C12H27N4+3 MolecularWeight: 227.36958

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[N+]12CC[N+](CC1)(CC2)C)N=C[NH3+]

Isomeric SMILES

CC(CC[N+]12CC[N+](CC1)(CC2)C)N=C[NH3+]

InChI

InChI=1S/C12H26N4/c1-12(14-11-13)3-4-16-8-5-15(2,6-9-16)7-10-16/h11-12H,3-10H2,1-2H3,(H2,13,14)/q+2/p+1