1-piperazin-1-yl-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]ethanone

Systemtic Name: 1-piperazin-1-yl-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]ethanone Openeye Name: 1-piperazin-1-yl-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]ethanone CAS Name: 1-(1-piperazinyl)-2-[4-(1-piperidin-1-iumylmethyl)phenyl]ethanone IUPAC Name: 1-piperazin-1-yl-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]ethanone Traditional Name: 1-piperazino-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]ethanone Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CC(=O)N3CCNCC3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CC(=O)N3CCNCC3

InChI

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