3-(2-chloranyl-4-nitro-phenoxy)propyl-propan-2-yl-azanium

Systemtic Name: 3-(2-chloranyl-4-nitro-phenoxy)propyl-propan-2-yl-azanium Openeye Name: 3-(2-chloro-4-nitro-phenoxy)propyl-isopropyl-ammonium CAS Name: 3-(2-chloro-4-nitrophenoxy)propyl-propan-2-ylammonium IUPAC Name: 3-(2-chloro-4-nitrophenoxy)propyl-propan-2-ylazanium Traditional Name: 3-(2-chloro-4-nitro-phenoxy)propyl-isopropyl-ammonium Formula: C12H18ClN2O3+ MolecularWeight: 273.73592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CCCOC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)[NH2+]CCCOC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H17ClN2O3/c1-9(2)14-6-3-7-18-12-5-4-10(15(16)17)8-11(12)13/h4-5,8-9,14H,3,6-7H2,1-2H3/p+1