methyl-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(naphthalen-2-ylmethyl)azanium

Systemtic Name: methyl-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(naphthalen-2-ylmethyl)azanium Openeye Name: methyl-[2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl]-(2-naphthylmethyl)ammonium CAS Name: methyl-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]-(2-naphthalenylmethyl)ammonium IUPAC Name: methyl-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]-(naphthalen-2-ylmethyl)azanium Traditional Name: [2-keto-2-(2-methyl-3-nitro-anilino)ethyl]-methyl-(2-naphthylmethyl)ammonium Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H21N3O3/c1-15-19(8-5-9-20(15)24(26)27)22-21(25)14-23(2)13-16-10-11-17-6-3-4-7-18(17)12-16/h3-12H,13-14H2,1-2H3,(H,22,25)/p+1