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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O3/c1-10-8-12(2-3-13(10)15(16)17)18-9-11-4-6-14-7-5-11/h2-3,8,11,14H,4-7,9H2,1H3/p+1