2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C21H35N3O+2 MolecularWeight: 345.5221

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H33N3O/c1-17-12-18(2)14-24(13-17)16-21(25)22-20-8-10-23(11-9-20)15-19-6-4-3-5-7-19/h3-7,17-18,20H,8-16H2,1-2H3,(H,22,25)/p+2/t17-,18-/m1/s1