3-(4-piperazin-4-ium-1-ylphenyl)-1-piperidin-1-yl-propan-1-one

Systemtic Name: 3-(4-piperazin-4-ium-1-ylphenyl)-1-piperidin-1-yl-propan-1-one Openeye Name: 3-(4-piperazin-4-ium-1-ylphenyl)-1-(1-piperidyl)propan-1-one CAS Name: 3-[4-(1-piperazin-4-iumyl)phenyl]-1-(1-piperidinyl)-1-propanone IUPAC Name: 3-(4-piperazin-4-ium-1-ylphenyl)-1-piperidin-1-ylpropan-1-one Traditional Name: 3-(4-piperazin-4-ium-1-ylphenyl)-1-piperidino-propan-1-one Formula: C18H28N3O+ MolecularWeight: 302.43442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCC2=CC=C(C=C2)N3CC[NH2+]CC3

Isomeric SMILES

C1CCN(CC1)C(=O)CCC2=CC=C(C=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C18H27N3O/c22-18(21-12-2-1-3-13-21)9-6-16-4-7-17(8-5-16)20-14-10-19-11-15-20/h4-5,7-8,19H,1-3,6,9-15H2/p+1