methyl-(naphthalen-2-ylmethyl)-[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: methyl-(naphthalen-2-ylmethyl)-[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: methyl-(2-naphthylmethyl)-[2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl]ammonium CAS Name: methyl-(2-naphthalenylmethyl)-[2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl]ammonium IUPAC Name: methyl-(naphthalen-2-ylmethyl)-[2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl]-methyl-(2-naphthylmethyl)ammonium Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2C=C1)CC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2C=C1)CC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3/c1-25(15-17-6-7-18-4-2-3-5-19(18)14-17)16-22(27)24-13-12-23-20-8-10-21(11-9-20)26(28)29/h2-11,14,23H,12-13,15-16H2,1H3,(H,24,27)/p+1