2-[4-[2-(4-methylphenyl)carbonylphenyl]carbonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-[2-(4-methylphenyl)carbonylphenyl]carbonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-[2-(4-methylbenzoyl)benzoyl]piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[4-[[2-[(4-methylphenyl)-oxomethyl]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-[(2S)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-[2-(4-methylbenzoyl)benzoyl]piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Traditional Name: 1-[(2S)-2-methylpiperidino]-2-[4-(2-p-toluoylbenzoyl)piperazin-1-ium-1-yl]ethanone Formula: C27H34N3O3+ MolecularWeight: 448.57716

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H33N3O3/c1-20-10-12-22(13-11-20)26(32)23-8-3-4-9-24(23)27(33)29-17-15-28(16-18-29)19-25(31)30-14-6-5-7-21(30)2/h3-4,8-13,21H,5-7,14-19H2,1-2H3/p+1/t21-/m0/s1