1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-[(2S)-2-oxidanylbutyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-[(2S)-2-oxidanylbutyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(2S)-2-hydroxybutyl]-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-2-hydroxybutyl]-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-2-hydroxybutyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(2S)-2-hydroxybutyl]-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C23H39N3O2+2 MolecularWeight: 389.57466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3C)O

Isomeric SMILES

CC[C@@H](CNC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3C)O

InChI

InChI=1S/C23H37N3O2/c1-3-22(27)16-24-23(28)19-8-14-26(15-9-19)21-10-12-25(13-11-21)17-20-7-5-4-6-18(20)2/h4-7,19,21-22,27H,3,8-17H2,1-2H3,(H,24,28)/p+2/t22-/m0/s1