3,3-dimethyl-1-(4-phenethylpiperazin-4-ium-1-yl)butan-1-one

Systemtic Name: 3,3-dimethyl-1-(4-phenethylpiperazin-4-ium-1-yl)butan-1-one Openeye Name: 3,3-dimethyl-1-(4-phenethylpiperazin-4-ium-1-yl)butan-1-one CAS Name: 3,3-dimethyl-1-(4-phenethyl-1-piperazin-4-iumyl)-1-butanone IUPAC Name: 3,3-dimethyl-1-(4-phenethylpiperazin-4-ium-1-yl)butan-1-one Traditional Name: 3,3-dimethyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/c1-18(2,3)15-17(21)20-13-11-19(12-14-20)10-9-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3/p+1