N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H25N3O4/c25-18-4-2-17(3-5-18)24-11-9-23(10-12-24)8-7-21(26)22-16-1-6-19-20(15-16)28-14-13-27-19/h1-6,15,25H,7-14H2,(H,22,26)/p+1