[3-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-nitro-phenoxy]-2-oxidanyl-propyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium

Systemtic Name: [3-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-nitro-phenoxy]-2-oxidanyl-propyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium Openeye Name: [3-[4-(2-amino-3-hydroxy-3-oxo-propyl)-2-nitro-phenoxy]-2-hydroxy-propyl]-dimethyl-[2-(2-naphthyl)ethyl]ammonium CAS Name: [3-[4-(2-amino-3-hydroxy-3-oxopropyl)-2-nitrophenoxy]-2-hydroxypropyl]-dimethyl-[2-(2-naphthalenyl)ethyl]ammonium IUPAC Name: [3-[4-(2-amino-3-hydroxy-3-oxopropyl)-2-nitrophenoxy]-2-hydroxypropyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium Traditional Name: [3-[4-(2-amino-3-hydroxy-3-keto-propyl)-2-nitro-phenoxy]-2-hydroxy-propyl]-dimethyl-[2-(2-naphthyl)ethyl]ammonium Formula: C26H32N3O6+ MolecularWeight: 482.54878

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC2=CC=CC=C2C=C1)CC(COC3=C(C=C(C=C3)CC(C(=O)O)N)[N+](=O)[O-])O

Isomeric SMILES

C[N+](C)(CCC1=CC2=CC=CC=C2C=C1)CC(COC3=C(C=C(C=C3)CC(C(=O)O)N)[N+](=O)[O-])O

InChI

InChI=1S/C26H31N3O6/c1-29(2,12-11-18-7-9-20-5-3-4-6-21(20)13-18)16-22(30)17-35-25-10-8-19(14-23(27)26(31)32)15-24(25)28(33)34/h3-10,13,15,22-23,30H,11-12,14,16-17,27H2,1-2H3/p+1