[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-1-ium-4-yl]-diphenyl-methanol

Systemtic Name: [1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: [1-[(3S)-8-methoxychroman-3-yl]piperidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-[(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: [1-[(3S)-8-methoxychroman-3-yl]piperidin-1-ium-4-yl]-diphenyl-methanol Formula: C28H32NO3+ MolecularWeight: 430.55858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH+]3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH+]3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

InChI

InChI=1S/C28H31NO3/c1-31-26-14-8-9-21-19-25(20-32-27(21)26)29-17-15-24(16-18-29)28(30,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-14,24-25,30H,15-20H2,1H3/p+1/t25-/m0/s1