3-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[(3-chlorophenyl)methyl]-4-piperidin-1-iumyl]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-(3-chlorobenzyl)piperidin-1-ium-4-yl]-1-(4-ethylpiperazino)propan-1-one Formula: C21H33ClN3O+ MolecularWeight: 378.95922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H32ClN3O/c1-2-23-12-14-25(15-13-23)21(26)7-6-18-8-10-24(11-9-18)17-19-4-3-5-20(22)16-19/h3-5,16,18H,2,6-15,17H2,1H3/p+1