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

Systemtic Name: N-[(2S)-2-methylbutyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(2S)-2-methylbutyl]-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-2-methylbutyl]-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-2-methylbutyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]-N-[(2S)-2-methylbutyl]piperidin-1-ium-4-carboxamide Formula: C24H41N3O+2 MolecularWeight: 387.60184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39N3O/c1-4-19(2)17-25-24(28)21-9-15-27(16-10-21)23-11-13-26(14-12-23)18-22-8-6-5-7-20(22)3/h5-8,19,21,23H,4,9-18H2,1-3H3,(H,25,28)/p+2/t19-/m0/s1