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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCOC(C1)C(C)C)CC[NH2+]CC2=CC=CO2

Isomeric SMILES

CC(C)CC[C@@]1(CCO[C@@H](C1)C(C)C)CC[NH2+]CC2=CC=CO2

InChI

InChI=1S/C20H35NO2/c1-16(2)7-8-20(10-13-23-19(14-20)17(3)4)9-11-21-15-18-6-5-12-22-18/h5-6,12,16-17,19,21H,7-11,13-15H2,1-4H3/p+1/t19-,20-/m0/s1