[1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-(4-oxidanylpiperidin-1-yl)methanone

Systemtic Name: [1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-(4-oxidanylpiperidin-1-yl)methanone Openeye Name: (4-hydroxy-1-piperidyl)-[1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone CAS Name: (4-hydroxy-1-piperidinyl)-[1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-hydroxypiperidin-1-yl)-[1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-hydroxypiperidino)-[1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Formula: C24H39N3O2+2 MolecularWeight: 401.58536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCC(CC4)O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCC(CC4)O

InChI

InChI=1S/C24H37N3O2/c1-19-4-2-3-5-21(19)18-25-12-8-22(9-13-25)26-14-6-20(7-15-26)24(29)27-16-10-23(28)11-17-27/h2-5,20,22-23,28H,6-18H2,1H3/p+2