diethyl-[6-[(4-nitrophenyl)amino]-1-oxidanyl-heptan-3-yl]azanium chloride

Systemtic Name: diethyl-[6-[(4-nitrophenyl)amino]-1-oxidanyl-heptan-3-yl]azanium chloride Openeye Name: diethyl-[1-(2-hydroxyethyl)-4-(4-nitroanilino)pentyl]ammonium chloride CAS Name: diethyl-[1-hydroxy-6-(4-nitroanilino)heptan-3-yl]ammonium chloride IUPAC Name: diethyl-[1-hydroxy-6-(4-nitroanilino)heptan-3-yl]azanium chloride Traditional Name: diethyl-[1-(2-hydroxyethyl)-4-(4-nitroanilino)pentyl]ammonium chloride Formula: C17H30ClN3O3 MolecularWeight: 359.8914

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CCC(C)NC1=CC=C(C=C1)[N+](=O)[O-])CCO.[Cl-]

Isomeric SMILES

CC[NH+](CC)C(CCC(C)NC1=CC=C(C=C1)[N+](=O)[O-])CCO.[Cl-]

InChI

InChI=1S/C17H29N3O3.ClH/c1-4-19(5-2)16(12-13-21)9-6-14(3)18-15-7-10-17(11-8-15)20(22)23;/h7-8,10-11,14,16,18,21H,4-6,9,12-13H2,1-3H3;1H