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

Systemtic Name: 2-ethyl-1-(4-phenethylpiperazin-4-ium-1-yl)butan-1-one Openeye Name: 2-ethyl-1-(4-phenethylpiperazin-4-ium-1-yl)butan-1-one CAS Name: 2-ethyl-1-(4-phenethyl-1-piperazin-4-iumyl)-1-butanone IUPAC Name: 2-ethyl-1-(4-phenethylpiperazin-4-ium-1-yl)butan-1-one Traditional Name: 2-ethyl-1-(4-phenethylpiperazin-4-ium-1-yl)butan-1-one Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/c1-3-17(4-2)18(21)20-14-12-19(13-15-20)11-10-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3/p+1