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

Systemtic Name: N'-(3,4-dimethoxyphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanediamide Openeye Name: N'-(3,4-dimethoxyphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]oxamide CAS Name: N'-(3,4-dimethoxyphenyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]oxamide IUPAC Name: N'-(3,4-dimethoxyphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]oxamide Traditional Name: N'-(3,4-dimethoxyphenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]oxamide Formula: C23H30N3O4+ MolecularWeight: 412.502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)OC

InChI

InChI=1S/C23H29N3O4/c1-29-20-11-10-19(14-21(20)30-2)25-23(28)22(27)24-15-17-6-8-18(9-7-17)16-26-12-4-3-5-13-26/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,24,27)(H,25,28)/p+1