N-butyl-2-[4-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-(2,5-dimethylanilino)-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-(2,5-dimethylanilino)-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-(2,5-dimethylanilino)-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C20H33N4O2+ MolecularWeight: 361.50162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C20H32N4O2/c1-4-5-8-21-19(25)14-23-9-11-24(12-10-23)15-20(26)22-18-13-16(2)6-7-17(18)3/h6-7,13H,4-5,8-12,14-15H2,1-3H3,(H,21,25)(H,22,26)/p+1