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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2CCC[NH2+]C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H]2CCC[NH2+]C2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O3/c1-10-7-12(4-5-13(10)15(16)17)18-9-11-3-2-6-14-8-11/h4-5,7,11,14H,2-3,6,8-9H2,1H3/p+1/t11-/m0/s1