N-[(2S)-2-methylbutyl]-1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2S)-2-methylbutyl]-1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(2S)-2-methylbutyl]-1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-2-methylbutyl]-1-[1-[(6-methyl-2-pyridinyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-2-methylbutyl]-1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(2S)-2-methylbutyl]-1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C23H40N4O+2 MolecularWeight: 388.5899

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC(=N3)C

Isomeric SMILES

CC[C@H](C)CNC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC(=N3)C

InChI

InChI=1S/C23H38N4O/c1-4-18(2)16-24-23(28)20-8-14-27(15-9-20)22-10-12-26(13-11-22)17-21-7-5-6-19(3)25-21/h5-7,18,20,22H,4,8-17H2,1-3H3,(H,24,28)/p+2/t18-/m0/s1