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

Systemtic Name: 4-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-1-ium-4-yl]pyridine Openeye Name: 4-[1-[(3S)-8-methoxychroman-3-yl]piperidin-1-ium-4-yl]pyridine CAS Name: 4-[1-[(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-4-piperidin-1-iumyl]pyridine IUPAC Name: 4-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-1-ium-4-yl]pyridine Traditional Name: 4-[1-[(3S)-8-methoxychroman-3-yl]piperidin-1-ium-4-yl]pyridine Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2/c1-23-19-4-2-3-17-13-18(14-24-20(17)19)22-11-7-16(8-12-22)15-5-9-21-10-6-15/h2-6,9-10,16,18H,7-8,11-14H2,1H3/p+1/t18-/m0/s1