2-[(2S,4S)-2-ethyl-2-methyl-4-(3-methylbutyl)oxan-4-yl]ethyl-(furan-2-ylmethyl)azanium

Systemtic Name: 2-[(2S,4S)-2-ethyl-2-methyl-4-(3-methylbutyl)oxan-4-yl]ethyl-(furan-2-ylmethyl)azanium Openeye Name: 2-[(2S,4S)-2-ethyl-4-isopentyl-2-methyl-tetrahydropyran-4-yl]ethyl-(2-furylmethyl)ammonium CAS Name: 2-[(2S,4S)-2-ethyl-2-methyl-4-(3-methylbutyl)-4-oxanyl]ethyl-(2-furanylmethyl)ammonium IUPAC Name: 2-[(2S,4S)-2-ethyl-2-methyl-4-(3-methylbutyl)oxan-4-yl]ethyl-(furan-2-ylmethyl)azanium Traditional Name: 2-[(2S,4S)-2-ethyl-4-isoamyl-2-methyl-tetrahydropyran-4-yl]ethyl-(2-furfuryl)ammonium Formula: C20H36NO2+ MolecularWeight: 322.50534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CCO1)(CCC(C)C)CC[NH2+]CC2=CC=CO2)C

Isomeric SMILES

CC[C@]1(C[C@@](CCO1)(CCC(C)C)CC[NH2+]CC2=CC=CO2)C

InChI

InChI=1S/C20H35NO2/c1-5-19(4)16-20(11-14-23-19,9-8-17(2)3)10-12-21-15-18-7-6-13-22-18/h6-7,13,17,21H,5,8-12,14-16H2,1-4H3/p+1/t19-,20-/m0/s1