[(2R)-2-[(4R)-2,2-dimethyl-4-phenyl-oxan-4-yl]-3-oxidanyl-propyl]-(phenylmethyl)azanium

Systemtic Name: [(2R)-2-[(4R)-2,2-dimethyl-4-phenyl-oxan-4-yl]-3-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl]-3-hydroxy-propyl]ammonium CAS Name: [(2R)-2-[(4R)-2,2-dimethyl-4-phenyl-4-oxanyl]-3-hydroxypropyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium Traditional Name: benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl]-3-hydroxy-propyl]ammonium Formula: C23H32NO2+ MolecularWeight: 354.50568

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(C2=CC=CC=C2)C(C[NH2+]CC3=CC=CC=C3)CO)C

Isomeric SMILES

CC1(C[C@@](CCO1)(C2=CC=CC=C2)[C@H](C[NH2+]CC3=CC=CC=C3)CO)C

InChI

InChI=1S/C23H31NO2/c1-22(2)18-23(13-14-26-22,20-11-7-4-8-12-20)21(17-25)16-24-15-19-9-5-3-6-10-19/h3-12,21,24-25H,13-18H2,1-2H3/p+1/t21-,23+/m1/s1