N-(4-propylphenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-propylphenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-propylphenyl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-propylphenyl)-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-propylphenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-propylphenyl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C21H28N4O/c1-2-5-18-7-9-19(10-8-18)23-21(26)17-25-14-12-24(13-15-25)16-20-6-3-4-11-22-20/h3-4,6-11H,2,5,12-17H2,1H3,(H,23,26)/p+1