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

Systemtic Name: 2-[(2R,4S)-2-ethyl-2-methyl-4-phenyl-oxan-4-yl]ethyl-(furan-2-ylmethyl)azanium Openeye Name: 2-[(2R,4S)-2-ethyl-2-methyl-4-phenyl-tetrahydropyran-4-yl]ethyl-(2-furylmethyl)ammonium CAS Name: 2-[(2R,4S)-2-ethyl-2-methyl-4-phenyl-4-oxanyl]ethyl-(2-furanylmethyl)ammonium IUPAC Name: 2-[(2R,4S)-2-ethyl-2-methyl-4-phenyloxan-4-yl]ethyl-(furan-2-ylmethyl)azanium Traditional Name: 2-[(2R,4S)-2-ethyl-2-methyl-4-phenyl-tetrahydropyran-4-yl]ethyl-(2-furfuryl)ammonium Formula: C21H30NO2+ MolecularWeight: 328.4684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CCO1)(CC[NH2+]CC2=CC=CO2)C3=CC=CC=C3)C

Isomeric SMILES

CC[C@@]1(C[C@@](CCO1)(CC[NH2+]CC2=CC=CO2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H29NO2/c1-3-20(2)17-21(12-15-24-20,18-8-5-4-6-9-18)11-13-22-16-19-10-7-14-23-19/h4-10,14,22H,3,11-13,15-17H2,1-2H3/p+1/t20-,21+/m1/s1