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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-m-anisyl-piperazin-4-ium-1-carboxamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

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