N'-(1,3-benzodioxol-5-ylmethyl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]ethanediamide

Systemtic Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]ethanediamide Openeye Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]oxamide CAS Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]oxamide IUPAC Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]oxamide Traditional Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N'-piperonyl-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)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)CNC(=O)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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