N-(2,2-dimethyl-3-oxidanyl-propyl)-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2,2-dimethyl-3-oxidanyl-propyl)-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-(3-hydroxy-2,2-dimethyl-propyl)-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-(3-hydroxy-2,2-dimethylpropyl)-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(3-hydroxy-2,2-dimethylpropyl)-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-(3-hydroxy-2,2-dimethyl-propyl)-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C24H41N3O2+2 MolecularWeight: 403.60124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39N3O2/c1-19-6-4-5-7-21(19)16-26-12-10-22(11-13-26)27-14-8-20(9-15-27)23(29)25-17-24(2,3)18-28/h4-7,20,22,28H,8-18H2,1-3H3,(H,25,29)/p+2