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

Systemtic Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]quinoline Openeye Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]quinoline CAS Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]methyl]quinoline IUPAC Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]quinoline Traditional Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]quinoline Formula: C22H23N2O2+ MolecularWeight: 347.43022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=NC3=CC=CC=C3C=C2)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=NC3=CC=CC=C3C=C2)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H22N2O2/c1-2-5-19-16(4-1)7-9-18(23-19)15-24-11-3-6-20(24)17-8-10-21-22(14-17)26-13-12-25-21/h1-2,4-5,7-10,14,20H,3,6,11-13,15H2/p+1/t20-/m0/s1