(3S)-1-(1-benzofuran-2-ylmethyl)-N-phenyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(1-benzofuran-2-ylmethyl)-N-phenyl-piperidin-1-ium-3-amine Openeye Name: (3S)-1-(benzofuran-2-ylmethyl)-N-phenyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-(2-benzofuranylmethyl)-N-phenyl-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(1-benzofuran-2-ylmethyl)-N-phenylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-phenyl-amine Formula: C20H23N2O+ MolecularWeight: 307.40942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=CC=CC=C3O2)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=CC=CC=C3O2)NC4=CC=CC=C4

InChI

InChI=1S/C20H22N2O/c1-2-8-17(9-3-1)21-18-10-6-12-22(14-18)15-19-13-16-7-4-5-11-20(16)23-19/h1-5,7-9,11,13,18,21H,6,10,12,14-15H2/p+1/t18-/m0/s1