3-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-(4-veratrylpiperazin-1-ium-1-yl)acetyl]anilino)propionamide Formula: C24H33N4O4+ MolecularWeight: 441.54322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC(=O)N(CCC(=O)N)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC(=O)N(CCC(=O)N)C3=CC=CC=C3)OC

InChI

InChI=1S/C24H32N4O4/c1-31-21-9-8-19(16-22(21)32-2)17-26-12-14-27(15-13-26)18-24(30)28(11-10-23(25)29)20-6-4-3-5-7-20/h3-9,16H,10-15,17-18H2,1-2H3,(H2,25,29)/p+1