2-(azocan-1-ium-1-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H33N3O/c25-21(18-23-13-7-2-1-3-8-14-23)22-20-11-15-24(16-12-20)17-19-9-5-4-6-10-19/h4-6,9-10,20H,1-3,7-8,11-18H2,(H,22,25)/p+2