N-[3-(3-chloranyl-2-methyl-phenyl)-1,2,3,4-oxatriazol-3-ium-5-yl]-N'-prop-2-ynyl-carbamimidate

Systemtic Name: N-[3-(3-chloranyl-2-methyl-phenyl)-1,2,3,4-oxatriazol-3-ium-5-yl]-N'-prop-2-ynyl-carbamimidate Openeye Name: N-[3-(3-chloro-2-methyl-phenyl)oxatriazol-3-ium-5-yl]-N'-prop-2-ynyl-carbamimidate CAS Name: N-[3-(3-chloro-2-methylphenyl)-5-oxatriazol-3-iumyl]-N'-prop-2-ynylcarbamimidate IUPAC Name: N-[3-(3-chloro-2-methylphenyl)oxatriazol-3-ium-5-yl]-N'-prop-2-ynylcarbamimidate Traditional Name: N-[3-(3-chloro-2-methyl-phenyl)oxatriazol-3-ium-5-yl]-N'-propargyl-carbamimidate Formula: C12H10ClN5O2 MolecularWeight: 291.6931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)[N+]2=NOC(=N2)NC(=NCC#C)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)[N+]2=NOC(=N2)NC(=NCC#C)[O-]

InChI

InChI=1S/C12H10ClN5O2/c1-3-7-14-11(19)15-12-16-18(17-20-12)10-6-4-5-9(13)8(10)2/h1,4-6H,7H2,2H3,(H-,14,15,16,17,19)