2-(4-ethanoylphenoxy)-1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 2-(4-ethanoylphenoxy)-1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 2-(4-acetylphenoxy)-1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 2-(4-acetylphenoxy)-1-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 2-(4-acetylphenoxy)-1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 2-(4-acetylphenoxy)-1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]ethanone Formula: C26H34N3O3+ MolecularWeight: 436.56646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)COC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)COC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C26H33N3O3/c1-20-6-3-4-8-25(20)28-16-14-27(15-17-28)23-7-5-13-29(18-23)26(31)19-32-24-11-9-22(10-12-24)21(2)30/h3-4,6,8-12,23H,5,7,13-19H2,1-2H3/p+1/t23-/m0/s1