N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

Systemtic Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,3-dihydro-p-dioxin-5-carboxamide Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=COCCO2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=COCCO2)C3=CC=CC=C3

InChI

InChI=1S/C17H23N3O3/c21-17(16-14-22-12-13-23-16)18-6-7-19-8-10-20(11-9-19)15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,18,21)/p+1