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

Systemtic Name: 1-[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-4-phenyl-piperazine Openeye Name: 1-[(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-4-phenyl-piperazine CAS Name: 1-[(3S)-1-(2-benzofuranylmethyl)-3-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 1-[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-4-phenylpiperazine Traditional Name: 1-[(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-4-phenyl-piperazine Formula: C24H30N3O+ MolecularWeight: 376.5145

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=CC=CC=C3O2)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=CC=CC=C3O2)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H29N3O/c1-2-8-21(9-3-1)26-13-15-27(16-14-26)22-10-6-12-25(18-22)19-23-17-20-7-4-5-11-24(20)28-23/h1-5,7-9,11,17,22H,6,10,12-16,18-19H2/p+1/t22-/m0/s1