(3R)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H25N3O3/c1-2-23-11-13-24(14-12-23)17-8-4-3-7-16(17)22-21(25)20-15-26-18-9-5-6-10-19(18)27-20/h3-10,20H,2,11-15H2,1H3,(H,22,25)/p+1/t20-/m1/s1