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

Systemtic Name: 1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium Openeye Name: 1-[(3S)-8-methoxychroman-3-yl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium CAS Name: 1-[(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-4-(2-pyrimidinyl)-1,4-diazepan-1-ium IUPAC Name: 1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium Traditional Name: 1-[(3S)-8-methoxychroman-3-yl]-4-(2-pyrimidyl)-1,4-diazepan-1-ium Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH+]3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH+]3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H24N4O2/c1-24-17-6-2-5-15-13-16(14-25-18(15)17)22-9-4-10-23(12-11-22)19-20-7-3-8-21-19/h2-3,5-8,16H,4,9-14H2,1H3/p+1/t16-/m0/s1