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

Systemtic Name: 1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-pyridin-1-ium-4-yl-piperazin-1-ium Openeye Name: 1-[(3S)-8-methoxychroman-3-yl]-4-pyridin-1-ium-4-yl-piperazin-1-ium CAS Name: 1-[(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-4-(4-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-pyridin-1-ium-4-ylpiperazin-1-ium Traditional Name: 1-[(3S)-8-methoxychroman-3-yl]-4-pyridin-1-ium-4-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=[NH+]C=C4

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2/c1-23-18-4-2-3-15-13-17(14-24-19(15)18)22-11-9-21(10-12-22)16-5-7-20-8-6-16/h2-8,17H,9-14H2,1H3/p+2/t17-/m0/s1