1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(1,3-benzoxazol-2-yl)piperidino]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]ethanone Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H30N4O2/c1-19-6-2-4-8-22(19)28-16-14-27(15-17-28)18-24(30)29-12-10-20(11-13-29)25-26-21-7-3-5-9-23(21)31-25/h2-9,20H,10-18H2,1H3/p+1