azane; ethanamide; 2-[4-methyl-3-phenyl-4-(phenylmethyl)piperazin-4-ium-1-yl]ethanamide

Systemtic Name: azane; ethanamide; 2-[4-methyl-3-phenyl-4-(phenylmethyl)piperazin-4-ium-1-yl]ethanamide Openeye Name: acetamide; ammonia; 2-(4-benzyl-4-methyl-3-phenyl-piperazin-4-ium-1-yl)acetamide CAS Name: acetamide; ammonia; 2-[4-methyl-3-phenyl-4-(phenylmethyl)-1-piperazin-4-iumyl]acetamide IUPAC Name: acetamide; azane; 2-(4-benzyl-4-methyl-3-phenylpiperazin-4-ium-1-yl)acetamide Traditional Name: acetamide; ammonia; 2-(4-benzyl-4-methyl-3-phenyl-piperazin-4-ium-1-yl)acetamide Formula: C22H34N5O2+ MolecularWeight: 400.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N.C[N+]1(CCN(CC1C2=CC=CC=C2)CC(=O)N)CC3=CC=CC=C3.N

Isomeric SMILES

CC(=O)N.C[N+]1(CCN(CC1C2=CC=CC=C2)CC(=O)N)CC3=CC=CC=C3.N

InChI

InChI=1S/C20H25N3O.C2H5NO.H3N/c1-23(16-17-8-4-2-5-9-17)13-12-22(15-20(21)24)14-19(23)18-10-6-3-7-11-18;1-2(3)4;/h2-11,19H,12-16H2,1H3,(H-,21,24);1H3,(H2,3,4);1H3/p+1