N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanediamide

Systemtic Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanediamide Openeye Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide CAS Name: N-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide IUPAC Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide Traditional Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)CNC(=O)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)CNC(=O)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H29N3O4/c25-20(21(26)23-16-5-6-18-19(13-16)28-12-11-27-18)22-14-15-7-9-24(10-8-15)17-3-1-2-4-17/h5-6,13,15,17H,1-4,7-12,14H2,(H,22,25)(H,23,26)/p+1