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

Systemtic Name: 1-[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-(2-benzofuranylmethyl)-3-piperidin-1-iumyl]-4-(4-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCC[NH+](C3)CC4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CCC[NH+](C3)CC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H31N3O2/c1-29-23-10-8-21(9-11-23)27-13-15-28(16-14-27)22-6-4-12-26(18-22)19-24-17-20-5-2-3-7-25(20)30-24/h2-3,5,7-11,17,22H,4,6,12-16,18-19H2,1H3/p+1/t22-/m0/s1