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

Systemtic Name: 1-[2-(3-methyl-4-nitro-phenoxy)ethyl]pyrrolidin-1-ium Openeye Name: 1-[2-(3-methyl-4-nitro-phenoxy)ethyl]pyrrolidin-1-ium CAS Name: 1-[2-(3-methyl-4-nitrophenoxy)ethyl]pyrrolidin-1-ium IUPAC Name: 1-[2-(3-methyl-4-nitrophenoxy)ethyl]pyrrolidin-1-ium Traditional Name: 1-[2-(3-methyl-4-nitro-phenoxy)ethyl]pyrrolidin-1-ium Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-11-10-12(4-5-13(11)15(16)17)18-9-8-14-6-2-3-7-14/h4-5,10H,2-3,6-9H2,1H3/p+1