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

Systemtic Name: N'-(1,3-benzodioxol-5-yl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-(1,3-benzodioxol-5-yl)-N-[(1-benzylpiperidin-1-ium-4-yl)methyl]oxamide CAS Name: N'-(1,3-benzodioxol-5-yl)-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(1,3-benzodioxol-5-yl)-N-[(1-benzylpiperidin-1-ium-4-yl)methyl]oxamide Traditional Name: N'-(1,3-benzodioxol-5-yl)-N-[(1-benzylpiperidin-1-ium-4-yl)methyl]oxamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNC(=O)C(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1CNC(=O)C(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4/c26-21(22(27)24-18-6-7-19-20(12-18)29-15-28-19)23-13-16-8-10-25(11-9-16)14-17-4-2-1-3-5-17/h1-7,12,16H,8-11,13-15H2,(H,23,26)(H,24,27)/p+1