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

Systemtic Name: (4-methylcyclohexyl)-[(1S)-1-(3-nitrophenyl)butyl]azanium Openeye Name: (4-methylcyclohexyl)-[(1S)-1-(3-nitrophenyl)butyl]ammonium CAS Name: (4-methylcyclohexyl)-[(1S)-1-(3-nitrophenyl)butyl]ammonium IUPAC Name: (4-methylcyclohexyl)-[(1S)-1-(3-nitrophenyl)butyl]azanium Traditional Name: (4-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+]C2CCC(CC2)C

Isomeric SMILES

CCC[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])[NH2+]C2CCC(CC2)C

InChI

InChI=1S/C17H26N2O2/c1-3-5-17(18-15-10-8-13(2)9-11-15)14-6-4-7-16(12-14)19(20)21/h4,6-7,12-13,15,17-18H,3,5,8-11H2,1-2H3/p+1/t13?,15?,17-/m0/s1