2-[[4-(naphthalen-2-ylcarbamoyl)-2-nitro-phenyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[4-(naphthalen-2-ylcarbamoyl)-2-nitro-phenyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[4-(2-naphthylcarbamoyl)-2-nitro-anilino]ethyl]ammonium CAS Name: 2-[4-[(2-naphthalenylamino)-oxomethyl]-2-nitroanilino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[4-(naphthalen-2-ylcarbamoyl)-2-nitroanilino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[4-(2-naphthylcarbamoyl)-2-nitro-anilino]ethyl]ammonium Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC1=C(C=C(C=C1)C(=O)NC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC1=C(C=C(C=C1)C(=O)NC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C25H30N4O3/c1-17(2)28(18(3)4)14-13-26-23-12-10-21(16-24(23)29(31)32)25(30)27-22-11-9-19-7-5-6-8-20(19)15-22/h5-12,15-18,26H,13-14H2,1-4H3,(H,27,30)/p+1