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

Systemtic Name: N-[(2S)-butan-2-yl]-1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(1S)-1-methylpropyl]-1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-[1-[(6-methyl-2-pyridinyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(1S)-1-methylpropyl]-1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C22H38N4O+2 MolecularWeight: 374.56332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N4O/c1-4-17(2)24-22(27)19-8-14-26(15-9-19)21-10-12-25(13-11-21)16-20-7-5-6-18(3)23-20/h5-7,17,19,21H,4,8-16H2,1-3H3,(H,24,27)/p+2/t17-/m0/s1