(5R)-5-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-prop-2-ynyl-azepan-2-one

Systemtic Name: (5R)-5-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-prop-2-ynyl-azepan-2-one Openeye Name: (5R)-5-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-prop-2-ynyl-azepan-2-one CAS Name: (5R)-5-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-prop-2-ynyl-2-azepanone IUPAC Name: (5R)-5-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-prop-2-ynylazepan-2-one Traditional Name: (5R)-5-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-propargyl-azepan-2-one Formula: C19H25ClN3O+ MolecularWeight: 346.8743

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCC(CCC1=O)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C#CCN1CC[C@@H](CCC1=O)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H24ClN3O/c1-2-9-23-10-8-17(6-7-19(23)24)21-11-13-22(14-12-21)18-5-3-4-16(20)15-18/h1,3-5,15,17H,6-14H2/p+1/t17-/m1/s1