3-(azaniumylmethylideneamino)propyl-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]azanium

Systemtic Name: 3-(azaniumylmethylideneamino)propyl-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]azanium Openeye Name: 3-(azaniumylmethyleneamino)propyl-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]ammonium CAS Name: 3-(ammoniomethylideneamino)propyl-[2-(1,4,4-trimethyl-1-piperazine-1,4-diiumyl)ethyl]ammonium IUPAC Name: 3-(azaniumylmethylideneamino)propyl-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]azanium Traditional Name: 3-(ammoniomethyleneamino)propyl-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]ammonium Formula: C13H33N5+4 MolecularWeight: 259.43462

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC[N+](CC1)(C)CC[NH2+]CCCN=C[NH3+])C

Isomeric SMILES

C[N+]1(CC[N+](CC1)(C)CC[NH2+]CCCN=C[NH3+])C

InChI

InChI=1S/C13H31N5/c1-17(2)9-11-18(3,12-10-17)8-7-15-5-4-6-16-13-14/h13,15H,4-12H2,1-3H3,(H2,14,16)/q+2/p+2