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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H25N3O4/c1-26-18-4-2-3-17(14-18)24-9-7-23(8-10-24)15-21(25)22-16-5-6-19-20(13-16)28-12-11-27-19/h2-6,13-14H,7-12,15H2,1H3,(H,22,25)/p+1