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

Systemtic Name: 4-(4-methyl-2-nitro-phenoxy)butyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: 4-(4-methyl-2-nitro-phenoxy)butyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: 4-(4-methyl-2-nitrophenoxy)butyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: 4-(4-methyl-2-nitrophenoxy)butyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: 4-(4-methyl-2-nitro-phenoxy)butyl-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C17H29N3O4+2 MolecularWeight: 339.42986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O4/c1-15-4-5-17(16(14-15)20(21)22)24-11-3-2-6-18-7-8-19-9-12-23-13-10-19/h4-5,14,18H,2-3,6-13H2,1H3/p+2