[3-(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)propylamino]methylazanium

Systemtic Name: [3-(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)propylamino]methylazanium Openeye Name: [3-(4-isopropyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)propylamino]methylammonium CAS Name: [3-(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)propylamino]methylammonium IUPAC Name: [3-(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)propylamino]methylazanium Traditional Name: [3-(4-isopropyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)propylamino]methylammonium Formula: C13H31N4+3 MolecularWeight: 243.41204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H30N4/c1-13(2)17-9-6-16(7-10-17,8-11-17)5-3-4-15-12-14/h13,15H,3-12,14H2,1-2H3/q+2/p+1