[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]-methyl-(3-thenyl)ammonium Formula: C15H18N3O4S+ MolecularWeight: 336.38612

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C15H17N3O4S/c1-17(8-11-5-6-23-10-11)9-15(19)16-13-4-3-12(18(20)21)7-14(13)22-2/h3-7,10H,8-9H2,1-2H3,(H,16,19)/p+1