bis(azanyl)methylidene-[(2R)-3-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanyl-propyl]azanium

Systemtic Name: bis(azanyl)methylidene-[(2R)-3-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanyl-propyl]azanium Openeye Name: [(2R)-3-(2-bromo-4-methyl-anilino)-2-hydroxy-propyl]-(diaminomethylene)ammonium CAS Name: [(2R)-3-(2-bromo-4-methylanilino)-2-hydroxypropyl]-(diaminomethylidene)ammonium IUPAC Name: [(2R)-3-(2-bromo-4-methylanilino)-2-hydroxypropyl]-(diaminomethylidene)azanium Traditional Name: [(2R)-3-(2-bromo-4-methyl-anilino)-2-hydroxy-propyl]-(diaminomethylene)ammonium Formula: C11H18BrN4O+ MolecularWeight: 302.19082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCC(C[NH+]=C(N)N)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC[C@H](C[NH+]=C(N)N)O)Br

InChI

InChI=1S/C11H17BrN4O/c1-7-2-3-10(9(12)4-7)15-5-8(17)6-16-11(13)14/h2-4,8,15,17H,5-6H2,1H3,(H4,13,14,16)/p+1/t8-/m1/s1