methyl-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: methyl-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-(thiophen-3-ylmethyl)azanium Openeye Name: methyl-[(4-nitro-1,3-dioxo-isoindolin-2-yl)methyl]-(3-thienylmethyl)ammonium CAS Name: methyl-[(4-nitro-1,3-dioxo-2-isoindolyl)methyl]-(3-thiophenylmethyl)ammonium IUPAC Name: methyl-[(4-nitro-1,3-dioxoisoindol-2-yl)methyl]-(thiophen-3-ylmethyl)azanium Traditional Name: (1,3-diketo-4-nitro-isoindolin-2-yl)methyl-methyl-(3-thenyl)ammonium Formula: C15H14N3O4S+ MolecularWeight: 332.35436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CSC=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O4S/c1-16(7-10-5-6-23-8-10)9-17-14(19)11-3-2-4-12(18(21)22)13(11)15(17)20/h2-6,8H,7,9H2,1H3/p+1