5-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentan-2-yliminomethylazanium

Systemtic Name: 5-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentan-2-yliminomethylazanium Openeye Name: [1-methyl-4-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)butyl]iminomethylammonium CAS Name: 5-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentan-2-yliminomethylammonium IUPAC Name: 5-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentan-2-yliminomethylazanium Traditional Name: [1-methyl-4-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)butyl]iminomethylammonium Formula: C13H29N4+3 MolecularWeight: 241.39616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H28N4/c1-13(15-12-14)4-3-5-17-9-6-16(2,7-10-17)8-11-17/h12-13H,3-11H2,1-2H3,(H2,14,15)/q+2/p+1