N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2,3-dihydro-p-dioxin-5-carboxamide Formula: C18H26N3O3+ MolecularWeight: 332.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=COCCO3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=COCCO3)C

InChI

InChI=1S/C18H25N3O3/c1-3-20-6-8-21(9-7-20)15-4-5-16(14(2)12-15)19-18(22)17-13-23-10-11-24-17/h4-5,12-13H,3,6-11H2,1-2H3,(H,19,22)/p+1