(5-chloranylthiophen-2-yl)methyl-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]ammonium Formula: C16H16ClN4OS+ MolecularWeight: 347.84244

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(S1)Cl)CN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C=CC[NH+](CC1=CC=C(S1)Cl)CN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H15ClN4OS/c1-2-9-20(10-12-7-8-15(17)23-12)11-21-16(22)13-5-3-4-6-14(13)18-19-21/h2-8H,1,9-11H2/p+1