4-phenyl-1-[[(2S)-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl]methyl]piperidin-1-ium chloride

Systemtic Name: 4-phenyl-1-[[(2S)-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl]methyl]piperidin-1-ium chloride Openeye Name: 4-phenyl-1-[[(2S)-2,4,6,7-tetramethyl-3H-benzofuran-2-yl]methyl]piperidin-1-ium chloride CAS Name: 4-phenyl-1-[[(2S)-2,4,6,7-tetramethyl-3H-benzofuran-2-yl]methyl]piperidin-1-ium chloride IUPAC Name: 4-phenyl-1-[[(2S)-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl]methyl]piperidin-1-ium chloride Traditional Name: 4-phenyl-1-[[(2S)-2,4,6,7-tetramethylcoumaran-2-yl]methyl]piperidin-1-ium chloride Formula: C24H32ClNO MolecularWeight: 385.96998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1CC(O2)(C)C[NH+]3CCC(CC3)C4=CC=CC=C4)C)C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C2=C1C[C@@](O2)(C)C[NH+]3CCC(CC3)C4=CC=CC=C4)C)C.[Cl-]

InChI

InChI=1S/C24H31NO.ClH/c1-17-14-18(2)22-15-24(4,26-23(22)19(17)3)16-25-12-10-21(11-13-25)20-8-6-5-7-9-20;/h5-9,14,21H,10-13,15-16H2,1-4H3;1H/t24-;/m0./s1