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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O4/c26-21(22(27)24-18-8-9-19-20(12-18)29-15-28-19)23-13-16-4-6-17(7-5-16)14-25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13-15H2,(H,23,26)(H,24,27)/p+1