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

Systemtic Name: 3-methyl-1-(4-phenethylpiperazin-4-ium-1-yl)butan-1-one Openeye Name: 3-methyl-1-(4-phenethylpiperazin-4-ium-1-yl)butan-1-one CAS Name: 3-methyl-1-(4-phenethyl-1-piperazin-4-iumyl)-1-butanone IUPAC Name: 3-methyl-1-(4-phenethylpiperazin-4-ium-1-yl)butan-1-one Traditional Name: 3-methyl-1-(4-phenethylpiperazin-4-ium-1-yl)butan-1-one Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-15(2)14-17(20)19-12-10-18(11-13-19)9-8-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3/p+1