3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CCC3=NN=C(O3)C4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CCC3=NN=C(O3)C4CCCCC4

InChI

InChI=1S/C23H32N4O2/c1-18-6-5-7-19(16-18)17-26-12-14-27(15-13-26)22(28)11-10-21-24-25-23(29-21)20-8-3-2-4-9-20/h5-7,16,20H,2-4,8-15,17H2,1H3/p+1