3-azaniumylpropyl-[(1R,3S,4S)-3,4-dimethylcyclohexyl]-(furan-2-ylmethyl)azanium

Systemtic Name: 3-azaniumylpropyl-[(1R,3S,4S)-3,4-dimethylcyclohexyl]-(furan-2-ylmethyl)azanium Openeye Name: 3-azaniumylpropyl-[(1R,3S,4S)-3,4-dimethylcyclohexyl]-(2-furylmethyl)ammonium CAS Name: 3-ammoniopropyl-[(1R,3S,4S)-3,4-dimethylcyclohexyl]-(2-furanylmethyl)ammonium IUPAC Name: 3-azaniumylpropyl-[(1R,3S,4S)-3,4-dimethylcyclohexyl]-(furan-2-ylmethyl)azanium Traditional Name: 3-ammoniopropyl-[(1R,3S,4S)-3,4-dimethylcyclohexyl]-(2-furfuryl)ammonium Formula: C16H30N2O+2 MolecularWeight: 266.4222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1C)[NH+](CCC[NH3+])CC2=CC=CO2

Isomeric SMILES

C[C@H]1CC[C@H](C[C@@H]1C)[NH+](CCC[NH3+])CC2=CC=CO2

InChI

InChI=1S/C16H28N2O/c1-13-6-7-15(11-14(13)2)18(9-4-8-17)12-16-5-3-10-19-16/h3,5,10,13-15H,4,6-9,11-12,17H2,1-2H3/p+2/t13-,14-,15+/m0/s1