3-cyclopentyl-1-[4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-cyclopentyl-1-[4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-cyclopentyl-1-[4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-cyclopentyl-1-[4-(2-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-cyclopentyl-1-[4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-cyclopentyl-1-[4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C18H29N3O+2 MolecularWeight: 303.44236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=[NH+]3

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=[NH+]3

InChI

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