1-(4-phenethylpiperazin-4-ium-1-yl)butan-1-one

Systemtic Name: 1-(4-phenethylpiperazin-4-ium-1-yl)butan-1-one Openeye Name: 1-(4-phenethylpiperazin-4-ium-1-yl)butan-1-one CAS Name: 1-(4-phenethyl-1-piperazin-4-iumyl)-1-butanone IUPAC Name: 1-(4-phenethylpiperazin-4-ium-1-yl)butan-1-one Traditional Name: 1-(4-phenethylpiperazin-4-ium-1-yl)butan-1-one Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC[NH+](CC1)CCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)N1CC[NH+](CC1)CCC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O/c1-2-6-16(19)18-13-11-17(12-14-18)10-9-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3/p+1