2-ethyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-ethyl-butan-1-one CAS Name: 2-ethyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-ethylbutan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-ethyl-butan-1-one Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCC(CC)C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C17H26N2O/c1-3-16(4-2)17(20)19-12-10-18(11-13-19)14-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3/p+1