[3-(2,2-dimethyloxan-4-yl)-4-phenyl-butyl]-(furan-2-ylmethyl)azanium

Systemtic Name: [3-(2,2-dimethyloxan-4-yl)-4-phenyl-butyl]-(furan-2-ylmethyl)azanium Openeye Name: [3-(2,2-dimethyltetrahydropyran-4-yl)-4-phenyl-butyl]-(2-furylmethyl)ammonium CAS Name: [3-(2,2-dimethyl-4-oxanyl)-4-phenylbutyl]-(2-furanylmethyl)ammonium IUPAC Name: [3-(2,2-dimethyloxan-4-yl)-4-phenylbutyl]-(furan-2-ylmethyl)azanium Traditional Name: [3-(2,2-dimethyltetrahydropyran-4-yl)-4-phenyl-butyl]-(2-furfuryl)ammonium Formula: C22H32NO2+ MolecularWeight: 342.49498

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)C(CC[NH2+]CC2=CC=CO2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(CCO1)C(CC[NH2+]CC2=CC=CO2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H31NO2/c1-22(2)16-20(11-14-25-22)19(15-18-7-4-3-5-8-18)10-12-23-17-21-9-6-13-24-21/h3-9,13,19-20,23H,10-12,14-17H2,1-2H3/p+1