1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine

Systemtic Name: 1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-piperidin-1-iumyl]-4-(2-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-(coumaran-5-ylmethyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Formula: C25H34N3O2+ MolecularWeight: 408.55636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H33N3O2/c1-29-25-7-3-2-6-23(25)28-14-12-27(13-15-28)22-5-4-11-26(19-22)18-20-8-9-24-21(17-20)10-16-30-24/h2-3,6-9,17,22H,4-5,10-16,18-19H2,1H3/p+1/t22-/m0/s1