2-[4-(2-ethoxypyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(2-ethoxypyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2-ethoxy-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(2-ethoxynicotinoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3/c1-2-28-20-18(9-6-10-22-20)21(27)25-13-11-24(12-14-25)16-19(26)23-15-17-7-4-3-5-8-17/h3-10H,2,11-16H2,1H3,(H,23,26)/p+1