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

Systemtic Name: 1-[4-(3-methyl-4-nitro-phenoxy)butyl]pyrrolidin-1-ium Openeye Name: 1-[4-(3-methyl-4-nitro-phenoxy)butyl]pyrrolidin-1-ium CAS Name: 1-[4-(3-methyl-4-nitrophenoxy)butyl]pyrrolidin-1-ium IUPAC Name: 1-[4-(3-methyl-4-nitrophenoxy)butyl]pyrrolidin-1-ium Traditional Name: 1-[4-(3-methyl-4-nitro-phenoxy)butyl]pyrrolidin-1-ium Formula: C15H23N2O3+ MolecularWeight: 279.35472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-13-12-14(6-7-15(13)17(18)19)20-11-5-4-10-16-8-2-3-9-16/h6-7,12H,2-5,8-11H2,1H3/p+1