(3-chlorophenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3-chlorophenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Openeye Name: (3-chlorophenyl)-(4-isopropylpiperazin-4-ium-1-yl)methanone CAS Name: (3-chlorophenyl)-(4-propan-2-yl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-chlorophenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Traditional Name: (3-chlorophenyl)-(4-isopropylpiperazin-4-ium-1-yl)methanone Formula: C14H20ClN2O+ MolecularWeight: 267.7744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H19ClN2O/c1-11(2)16-6-8-17(9-7-16)14(18)12-4-3-5-13(15)10-12/h3-5,10-11H,6-9H2,1-2H3/p+1