1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-methoxyphenyl)piperazin-1-ium Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H24N2O3/c1-23-18-7-3-2-6-17(18)22-12-10-21(11-13-22)14-16-15-24-19-8-4-5-9-20(19)25-16/h2-9,16H,10-15H2,1H3/p+1/t16-/m0/s1