(3S)-N-[(6-methylpyridin-2-yl)methyl]-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[(6-methylpyridin-2-yl)methyl]-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(6-methyl-2-pyridinyl)methyl]-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-carboxamide Formula: C25H36N4O+2 MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CNC(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)CNC(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O/c1-20-7-5-11-23(27-20)17-26-25(30)22-10-6-14-29(19-22)24-12-15-28(16-13-24)18-21-8-3-2-4-9-21/h2-5,7-9,11,22,24H,6,10,12-19H2,1H3,(H,26,30)/p+2/t22-/m0/s1