1-[3-(4-methyl-2-nitro-phenoxy)propyl]pyrrolidin-1-ium

Systemtic Name: 1-[3-(4-methyl-2-nitro-phenoxy)propyl]pyrrolidin-1-ium Openeye Name: 1-[3-(4-methyl-2-nitro-phenoxy)propyl]pyrrolidin-1-ium CAS Name: 1-[3-(4-methyl-2-nitrophenoxy)propyl]pyrrolidin-1-ium IUPAC Name: 1-[3-(4-methyl-2-nitrophenoxy)propyl]pyrrolidin-1-ium Traditional Name: 1-[3-(4-methyl-2-nitro-phenoxy)propyl]pyrrolidin-1-ium Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCC[NH+]2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC[NH+]2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O3/c1-12-5-6-14(13(11-12)16(17)18)19-10-4-9-15-7-2-3-8-15/h5-6,11H,2-4,7-10H2,1H3/p+1