1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanone Openeye Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 2-(4-hydroxy-1-piperidin-1-iumyl)-1-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]ethanone Formula: C23H38N4O3+2 MolecularWeight: 418.57282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)C(=O)C[NH+]4CCC(CC4)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C[NH+]4CCC(CC4)O

InChI

InChI=1S/C23H36N4O3/c1-30-22-6-4-19(5-7-22)25-13-15-26(16-14-25)20-3-2-10-27(17-20)23(29)18-24-11-8-21(28)9-12-24/h4-7,20-21,28H,2-3,8-18H2,1H3/p+2/t20-/m0/s1