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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)butan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)butan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)butan-1-one Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O/c1-2-6-15(18)17-11-9-16(10-12-17)13-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3/p+1