N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]-N'-propan-2-yl-ethanediamide

Systemtic Name: N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]-N'-propan-2-yl-ethanediamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-isopropyl-oxamide CAS Name: N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]-N'-propan-2-yloxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-propan-2-yloxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-isopropyl-oxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=O)NCC1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)C(=O)NCC1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O2/c1-14(2)20-18(23)17(22)19-12-15-8-10-21(11-9-15)13-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,19,22)(H,20,23)/p+1