1-[4-(5-methyl-2-nitro-phenoxy)butyl]piperidin-1-ium

Systemtic Name: 1-[4-(5-methyl-2-nitro-phenoxy)butyl]piperidin-1-ium Openeye Name: 1-[4-(5-methyl-2-nitro-phenoxy)butyl]piperidin-1-ium CAS Name: 1-[4-(5-methyl-2-nitrophenoxy)butyl]piperidin-1-ium IUPAC Name: 1-[4-(5-methyl-2-nitrophenoxy)butyl]piperidin-1-ium Traditional Name: 1-[4-(5-methyl-2-nitro-phenoxy)butyl]piperidin-1-ium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCCC[NH+]2CCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCCC[NH+]2CCCCC2

InChI

InChI=1S/C16H24N2O3/c1-14-7-8-15(18(19)20)16(13-14)21-12-6-5-11-17-9-3-2-4-10-17/h7-8,13H,2-6,9-12H2,1H3/p+1