(2R)-1-(4-bromophenyl)-3-(5-ethanoyl-2-methoxy-phenyl)-2-piperidin-1-ium-1-yl-propan-1-one

Systemtic Name: (2R)-1-(4-bromophenyl)-3-(5-ethanoyl-2-methoxy-phenyl)-2-piperidin-1-ium-1-yl-propan-1-one Openeye Name: (2R)-3-(5-acetyl-2-methoxy-phenyl)-1-(4-bromophenyl)-2-piperidin-1-ium-1-yl-propan-1-one CAS Name: (2R)-3-(5-acetyl-2-methoxyphenyl)-1-(4-bromophenyl)-2-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: (2R)-3-(5-acetyl-2-methoxyphenyl)-1-(4-bromophenyl)-2-piperidin-1-ium-1-ylpropan-1-one Traditional Name: (2R)-3-(5-acetyl-2-methoxy-phenyl)-1-(4-bromophenyl)-2-piperidin-1-ium-1-yl-propan-1-one Formula: C23H27BrNO3+ MolecularWeight: 445.36938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CC(C(=O)C2=CC=C(C=C2)Br)[NH+]3CCCCC3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)C[C@H](C(=O)C2=CC=C(C=C2)Br)[NH+]3CCCCC3

InChI

InChI=1S/C23H26BrNO3/c1-16(26)18-8-11-22(28-2)19(14-18)15-21(25-12-4-3-5-13-25)23(27)17-6-9-20(24)10-7-17/h6-11,14,21H,3-5,12-13,15H2,1-2H3/p+1/t21-/m1/s1