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

Systemtic Name: 2-[[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-1-ium-4-yl]oxymethyl]pyridine Openeye Name: 2-[[1-[(3S)-8-methoxychroman-3-yl]piperidin-1-ium-4-yl]oxymethyl]pyridine CAS Name: 2-[[1-[(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-4-piperidin-1-iumyl]oxymethyl]pyridine IUPAC Name: 2-[[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-1-ium-4-yl]oxymethyl]pyridine Traditional Name: 2-[[1-[(3S)-8-methoxychroman-3-yl]piperidin-1-ium-4-yl]oxymethyl]pyridine Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH+]3CCC(CC3)OCC4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH+]3CCC(CC3)OCC4=CC=CC=N4

InChI

InChI=1S/C21H26N2O3/c1-24-20-7-4-5-16-13-18(15-26-21(16)20)23-11-8-19(9-12-23)25-14-17-6-2-3-10-22-17/h2-7,10,18-19H,8-9,11-15H2,1H3/p+1/t18-/m0/s1