(4-aminocarbonyl-2-nitro-phenyl)methyl-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl-methyl-(3-thienylmethyl)ammonium CAS Name: (4-carbamoyl-2-nitrophenyl)methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: (4-carbamoyl-2-nitro-benzyl)-methyl-(3-thenyl)ammonium Formula: C14H16N3O3S+ MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O3S/c1-16(7-10-4-5-21-9-10)8-12-3-2-11(14(15)18)6-13(12)17(19)20/h2-6,9H,7-8H2,1H3,(H2,15,18)/p+1