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

Systemtic Name: 4-cyclohexyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-cyclohexyl-butan-1-one CAS Name: 4-cyclohexyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-cyclohexylbutan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-cyclohexyl-butan-1-one Formula: C21H33N2O+ MolecularWeight: 329.49952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H32N2O/c24-21(13-7-12-19-8-3-1-4-9-19)23-16-14-22(15-17-23)18-20-10-5-2-6-11-20/h2,5-6,10-11,19H,1,3-4,7-9,12-18H2/p+1