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

Systemtic Name: 3-(3-methyl-4-nitro-phenoxy)propyl-propan-2-yl-azanium Openeye Name: isopropyl-[3-(3-methyl-4-nitro-phenoxy)propyl]ammonium CAS Name: 3-(3-methyl-4-nitrophenoxy)propyl-propan-2-ylammonium IUPAC Name: 3-(3-methyl-4-nitrophenoxy)propyl-propan-2-ylazanium Traditional Name: isopropyl-[3-(3-methyl-4-nitro-phenoxy)propyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3/c1-10(2)14-7-4-8-18-12-5-6-13(15(16)17)11(3)9-12/h5-6,9-10,14H,4,7-8H2,1-3H3/p+1