3-(3-methyl-4-nitro-phenoxy)propyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: 3-(3-methyl-4-nitro-phenoxy)propyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: 3-(3-methyl-4-nitro-phenoxy)propyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: 3-(3-methyl-4-nitrophenoxy)propyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: 3-(3-methyl-4-nitrophenoxy)propyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: 3-(3-methyl-4-nitro-phenoxy)propyl-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C16H27N3O4+2 MolecularWeight: 325.40328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCC[NH2+]CC[NH+]2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCCC[NH2+]CC[NH+]2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O4/c1-14-13-15(3-4-16(14)19(20)21)23-10-2-5-17-6-7-18-8-11-22-12-9-18/h3-4,13,17H,2,5-12H2,1H3/p+2