2-[4-[4-[[azanyl-[[3,5-bis(azanyl)-6-chloranyl-pyrazin-2-yl]carbonylamino]methylidene]amino]butyl]phenoxy]ethyl-trimethyl-azanium

Systemtic Name: 2-[4-[4-[[azanyl-[[3,5-bis(azanyl)-6-chloranyl-pyrazin-2-yl]carbonylamino]methylidene]amino]butyl]phenoxy]ethyl-trimethyl-azanium Openeye Name: 2-[4-[4-[[amino-[(3,5-diamino-6-chloro-pyrazine-2-carbonyl)amino]methylene]amino]butyl]phenoxy]ethyl-trimethyl-ammonium CAS Name: 2-[4-[4-[[amino-[[(3,5-diamino-6-chloro-2-pyrazinyl)-oxomethyl]amino]methylidene]amino]butyl]phenoxy]ethyl-trimethylammonium IUPAC Name: 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethyl-trimethylazanium Traditional Name: 2-[4-[4-[[amino-[(3,5-diamino-6-chloro-pyrazinoyl)amino]methylene]amino]butyl]phenoxy]ethyl-trimethyl-ammonium Formula: C21H32ClN8O2+ MolecularWeight: 463.98418

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC1=CC=C(C=C1)CCCCN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N

Isomeric SMILES

C[N+](C)(C)CCOC1=CC=C(C=C1)CCCCN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N

InChI

InChI=1S/C21H31ClN8O2/c1-30(2,3)12-13-32-15-9-7-14(8-10-15)6-4-5-11-26-21(25)29-20(31)16-18(23)28-19(24)17(22)27-16/h7-10H,4-6,11-13H2,1-3H3,(H6-,23,24,25,26,28,29,31)/p+1