1-[4-[2-methoxy-5-[(2S)-4-methyl-2-propan-2-yl-piperazin-4-ium-1-yl]carbonyl-phenoxy]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[2-methoxy-5-[(2S)-4-methyl-2-propan-2-yl-piperazin-4-ium-1-yl]carbonyl-phenoxy]piperidin-1-yl]ethanone Openeye Name: 1-[4-[5-[(2S)-2-isopropyl-4-methyl-piperazin-4-ium-1-carbonyl]-2-methoxy-phenoxy]-1-piperidyl]ethanone CAS Name: 1-[4-[2-methoxy-5-[[(2S)-4-methyl-2-propan-2-yl-1-piperazin-4-iumyl]-oxomethyl]phenoxy]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[2-methoxy-5-[(2S)-4-methyl-2-propan-2-ylpiperazin-4-ium-1-carbonyl]phenoxy]piperidin-1-yl]ethanone Traditional Name: 1-[4-[5-[(2S)-2-isopropyl-4-methyl-piperazin-4-ium-1-carbonyl]-2-methoxy-phenoxy]piperidino]ethanone Formula: C23H36N3O4+ MolecularWeight: 418.54964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C[NH+](CCN1C(=O)C2=CC(=C(C=C2)OC)OC3CCN(CC3)C(=O)C)C

Isomeric SMILES

CC(C)[C@H]1C[NH+](CCN1C(=O)C2=CC(=C(C=C2)OC)OC3CCN(CC3)C(=O)C)C

InChI

InChI=1S/C23H35N3O4/c1-16(2)20-15-24(4)12-13-26(20)23(28)18-6-7-21(29-5)22(14-18)30-19-8-10-25(11-9-19)17(3)27/h6-7,14,16,19-20H,8-13,15H2,1-5H3/p+1/t20-/m1/s1