N-(3,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(3,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(3,5-dimethoxyphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(3,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(3,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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