N-[(4-methylphenyl)methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-propyl-ethanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-propyl-ethanamide Openeye Name: 2-(3-oxopiperazin-1-ium-1-yl)-N-propyl-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-(3-oxo-1-piperazin-1-iumyl)-N-propylacetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-(4-methylbenzyl)-N-propyl-acetamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C17H25N3O2/c1-3-9-20(11-15-6-4-14(2)5-7-15)17(22)13-19-10-8-18-16(21)12-19/h4-7H,3,8-13H2,1-2H3,(H,18,21)/p+1