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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=N1)C(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=CC=N1)C(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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