2-hydroxyethyl-[3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]-(phenylmethyl)azanium

Systemtic Name: 2-hydroxyethyl-[3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-hydroxyethyl)-[3-(2-methoxy-5-nitro-anilino)-3-oxo-propyl]ammonium CAS Name: 2-hydroxyethyl-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-hydroxyethyl)-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]azanium Traditional Name: benzyl-(2-hydroxyethyl)-[3-keto-3-(2-methoxy-5-nitro-anilino)propyl]ammonium Formula: C19H24N3O5+ MolecularWeight: 374.41096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC[NH+](CCO)CC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC[NH+](CCO)CC2=CC=CC=C2

InChI

InChI=1S/C19H23N3O5/c1-27-18-8-7-16(22(25)26)13-17(18)20-19(24)9-10-21(11-12-23)14-15-5-3-2-4-6-15/h2-8,13,23H,9-12,14H2,1H3,(H,20,24)/p+1