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

Systemtic Name: 1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one CAS Name: 1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propanone IUPAC Name: 1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-18-7-5-6-10-20(18)17-26-13-15-27(16-14-26)22(28)12-11-21-24-23(25-29-21)19-8-3-2-4-9-19/h2-10H,11-17H2,1H3/p+1