(2R)-3-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-propan-1-one

Systemtic Name: (2R)-3-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-propan-1-one Openeye Name: (2R)-3-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-propan-1-one CAS Name: (2R)-3-(1-azepan-1-iumyl)-1-(4-chlorophenyl)-2-phenyl-1-propanone IUPAC Name: (2R)-3-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenylpropan-1-one Traditional Name: (2R)-3-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-propan-1-one Formula: C21H25ClNO+ MolecularWeight: 342.8823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClNO/c22-19-12-10-18(11-13-19)21(24)20(17-8-4-3-5-9-17)16-23-14-6-1-2-7-15-23/h3-5,8-13,20H,1-2,6-7,14-16H2/p+1/t20-/m0/s1