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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-ethyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]azanium Openeye Name: (5-chloro-2-thienyl)methyl-ethyl-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-ethyl-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]ammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-ethyl-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]azanium Traditional Name: (5-chloro-2-thienyl)methyl-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]-ethyl-ammonium Formula: C16H15ClN3O4S+ MolecularWeight: 380.826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O4S/c1-2-18(8-11-4-6-14(17)25-11)9-19-15(21)12-5-3-10(20(23)24)7-13(12)16(19)22/h3-7H,2,8-9H2,1H3/p+1