[(1S,2S)-2-methylcyclohexyl]-[(1S)-1-(3-nitrophenyl)butyl]azanium

Systemtic Name: [(1S,2S)-2-methylcyclohexyl]-[(1S)-1-(3-nitrophenyl)butyl]azanium Openeye Name: [(1S,2S)-2-methylcyclohexyl]-[(1S)-1-(3-nitrophenyl)butyl]ammonium CAS Name: [(1S,2S)-2-methylcyclohexyl]-[(1S)-1-(3-nitrophenyl)butyl]ammonium IUPAC Name: [(1S,2S)-2-methylcyclohexyl]-[(1S)-1-(3-nitrophenyl)butyl]azanium Traditional Name: [(1S,2S)-2-methylcyclohexyl]-[(1S)-1-(3-nitrophenyl)butyl]ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=CC=C1)[N+](=O)[O-])[NH2+]C2CCCCC2C

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-3-7-17(18-16-11-5-4-8-13(16)2)14-9-6-10-15(12-14)19(20)21/h6,9-10,12-13,16-18H,3-5,7-8,11H2,1-2H3/p+1/t13-,16-,17-/m0/s1