(4-methoxy-3-nitro-phenyl)methyl-[(1S,2R)-2-methylcyclohexyl]azanium

Systemtic Name: (4-methoxy-3-nitro-phenyl)methyl-[(1S,2R)-2-methylcyclohexyl]azanium Openeye Name: (4-methoxy-3-nitro-phenyl)methyl-[(1S,2R)-2-methylcyclohexyl]ammonium CAS Name: (4-methoxy-3-nitrophenyl)methyl-[(1S,2R)-2-methylcyclohexyl]ammonium IUPAC Name: (4-methoxy-3-nitrophenyl)methyl-[(1S,2R)-2-methylcyclohexyl]azanium Traditional Name: (4-methoxy-3-nitro-benzyl)-[(1S,2R)-2-methylcyclohexyl]ammonium Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH2+]CC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1[NH2+]CC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H22N2O3/c1-11-5-3-4-6-13(11)16-10-12-7-8-15(20-2)14(9-12)17(18)19/h7-9,11,13,16H,3-6,10H2,1-2H3/p+1/t11-,13+/m1/s1