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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[(4-nitro-1,3-dioxo-isoindolin-2-yl)methyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(4-nitro-1,3-dioxo-2-isoindolyl)methyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(4-nitro-1,3-dioxoisoindol-2-yl)methyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[(1,3-diketo-4-nitro-isoindolin-2-yl)methyl]ammonium Formula: C17H15ClN3O4S+ MolecularWeight: 392.8367

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(S1)Cl)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=CC[NH+](CC1=CC=C(S1)Cl)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN3O4S/c1-2-8-19(9-11-6-7-14(18)26-11)10-20-16(22)12-4-3-5-13(21(24)25)15(12)17(20)23/h2-7H,1,8-10H2/p+1