3-cyclopentyl-1-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-cyclopentyl-1-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-cyclopentyl-1-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-cyclopentyl-1-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-cyclopentyl-1-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-cyclopentyl-1-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C18H28N3O+ MolecularWeight: 302.43442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C18H27N3O/c22-18(8-7-16-4-1-2-5-16)21-12-10-20(11-13-21)15-17-6-3-9-19-14-17/h3,6,9,14,16H,1-2,4-5,7-8,10-13,15H2/p+1