2,2-dimethyl-1-(4-phenethylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 2,2-dimethyl-1-(4-phenethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 2,2-dimethyl-1-(4-phenethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 2,2-dimethyl-1-(4-phenethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 2,2-dimethyl-1-(4-phenethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 2,2-dimethyl-1-(4-phenethylpiperazin-4-ium-1-yl)propan-1-one Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-17(2,3)16(20)19-13-11-18(12-14-19)10-9-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3/p+1