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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]propionamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)CCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)CCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H26N4O3/c26-21(23-17-4-5-19-20(15-17)28-14-13-27-19)6-8-24-9-11-25(12-10-24)16-18-3-1-2-7-22-18/h1-5,7,15H,6,8-14,16H2,(H,23,26)/p+1