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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O/c1-20-16-26-12-9-22(20)17-27-25(30)23-8-5-13-29(19-23)24-10-14-28(15-11-24)18-21-6-3-2-4-7-21/h2-4,6-7,9,12,16,23-24H,5,8,10-11,13-15,17-19H2,1H3,(H,27,30)/p+2/t23-/m0/s1