N-butyl-2-[4-(3-chloranyl-4,5-dimethoxy-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(3-chloranyl-4,5-dimethoxy-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(3-chloro-4,5-dimethoxy-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[(3-chloro-4,5-dimethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-(3-chloro-4,5-dimethoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-(3-chloro-4,5-dimethoxy-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H29ClN3O4+ MolecularWeight: 398.90426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClN3O4/c1-4-5-6-21-17(24)13-22-7-9-23(10-8-22)19(25)14-11-15(20)18(27-3)16(12-14)26-2/h11-12H,4-10,13H2,1-3H3,(H,21,24)/p+1