N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-(2-methyl-4-pyrrolidino-phenyl)acetamide Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C17H24N4O2/c1-13-10-14(21-7-2-3-8-21)4-5-15(13)19-17(23)12-20-9-6-18-16(22)11-20/h4-5,10H,2-3,6-9,11-12H2,1H3,(H,18,22)(H,19,23)/p+1