N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H22N4O3/c24-19(21-16-1-2-17-18(13-16)26-12-11-25-17)23-9-7-22(8-10-23)14-15-3-5-20-6-4-15/h1-6,13H,7-12,14H2,(H,21,24)/p+1