1-[4-(phenylmethyl)piperazin-4-ium-1-yl]pentan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]pentan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)pentan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-pentanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)pentan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)pentan-1-one Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O/c1-2-3-9-16(19)18-12-10-17(11-13-18)14-15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3/p+1