N-(2,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(2,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(2,4-dimethoxyphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(2,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(2,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H27N3O3/c1-26-18-8-9-19(20(16-18)27-2)22-21(25)10-11-23-12-14-24(15-13-23)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H,22,25)/p+1