[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4-phenyloxan-4-yl)methyl]azanium

Systemtic Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4-phenyloxan-4-yl)methyl]azanium Openeye Name: [(3S)-8-methoxychroman-3-yl]-[(4-phenyltetrahydropyran-4-yl)methyl]ammonium CAS Name: [(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-[(4-phenyl-4-oxanyl)methyl]ammonium IUPAC Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4-phenyloxan-4-yl)methyl]azanium Traditional Name: [(3S)-8-methoxychroman-3-yl]-[(4-phenyltetrahydropyran-4-yl)methyl]ammonium Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH2+]CC3(CCOCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH2+]CC3(CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27NO3/c1-24-20-9-5-6-17-14-19(15-26-21(17)20)23-16-22(10-12-25-13-11-22)18-7-3-2-4-8-18/h2-9,19,23H,10-16H2,1H3/p+1/t19-/m0/s1