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

Systemtic Name: 1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(3S)-8-methoxychroman-3-yl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(3S)-8-methoxychroman-3-yl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C19H25N3O2+2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H23N3O2/c1-23-17-6-4-5-15-13-16(14-24-19(15)17)21-9-11-22(12-10-21)18-7-2-3-8-20-18/h2-8,16H,9-14H2,1H3/p+2/t16-/m0/s1