[4-[[4-[[5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]phenyl]-trimethyl-azanium

Systemtic Name: [4-[[4-[[5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]phenyl]-trimethyl-azanium Openeye Name: [4-[[4-[(1-carboxy-4-guanidino-butyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]-trimethyl-ammonium CAS Name: [4-[[4-chloro-6-[[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]-trimethylammonium IUPAC Name: [4-[[4-chloro-6-[[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]-trimethylazanium Traditional Name: [4-[[4-[(1-carboxy-4-guanidino-butyl)amino]-6-chloro-s-triazin-2-yl]amino]phenyl]-trimethyl-ammonium Formula: C18H27ClN9O2+ MolecularWeight: 436.91908

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C18H26ClN9O2/c1-28(2,3)12-8-6-11(7-9-12)23-17-25-15(19)26-18(27-17)24-13(14(29)30)5-4-10-22-16(20)21/h6-9,13H,4-5,10H2,1-3H3,(H6-,20,21,22,23,24,25,26,27,29,30)/p+1