N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-prop-2-enyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-prop-2-enyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-allyl-N-(5-chloro-2,4-dimethoxy-phenyl)piperazin-4-ium-1-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-prop-2-enyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-prop-2-enylpiperazin-4-ium-1-carboxamide Traditional Name: 4-allyl-N-(5-chloro-2,4-dimethoxy-phenyl)piperazin-4-ium-1-carboxamide Formula: C16H23ClN3O3+ MolecularWeight: 340.82512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)N2CC[NH+](CC2)CC=C)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)N2CC[NH+](CC2)CC=C)Cl)OC

InChI

InChI=1S/C16H22ClN3O3/c1-4-5-19-6-8-20(9-7-19)16(21)18-13-10-12(17)14(22-2)11-15(13)23-3/h4,10-11H,1,5-9H2,2-3H3,(H,18,21)/p+1