methyl-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(3-methylthiophen-2-yl)methyl]azanium

Systemtic Name: methyl-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(3-methylthiophen-2-yl)methyl]azanium Openeye Name: methyl-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: [2-keto-2-(2-methyl-4-nitro-anilino)ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-11-6-7-23-15(11)9-18(3)10-16(20)17-14-5-4-13(19(21)22)8-12(14)2/h4-8H,9-10H2,1-3H3,(H,17,20)/p+1