1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazine Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazine CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(6-methyl-2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazine Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazine Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CCN(CC2)CC3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C[C@H]3COC4=CC=CC=C4O3

InChI

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