2-[2-(2-ethoxyethylamino)-4-(phenylmethyl)-1-pyridin-2-yl-piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[2-(2-ethoxyethylamino)-4-(phenylmethyl)-1-pyridin-2-yl-piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-benzyl-2-(2-ethoxyethylamino)-1-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[2-(2-ethoxyethylamino)-4-(phenylmethyl)-1-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-benzyl-2-(2-ethoxyethylamino)-1-pyridin-2-ylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-benzyl-2-(2-ethoxyethylamino)-1-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCNC1CN(CC[N+]1(CC(=O)N)C2=CC=CC=N2)CC3=CC=CC=C3

Isomeric SMILES

CCOCCNC1CN(CC[N+]1(CC(=O)N)C2=CC=CC=N2)CC3=CC=CC=C3

InChI

InChI=1S/C22H31N5O2/c1-2-29-15-12-25-22-17-26(16-19-8-4-3-5-9-19)13-14-27(22,18-20(23)28)21-10-6-7-11-24-21/h3-11,22,25H,2,12-18H2,1H3,(H-,23,28)/p+1