3-(3,5-dimethoxyphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide

Systemtic Name: 3-(3,5-dimethoxyphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide Openeye Name: 3-(3,5-dimethoxyphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide CAS Name: 3-(3,5-dimethoxyphenyl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]propanamide IUPAC Name: 3-(3,5-dimethoxyphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide Traditional Name: 3-(3,5-dimethoxyphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propionamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3/c1-28-21-16-19(17-22(18-21)29-2)8-9-23(27)24-10-11-25-12-14-26(15-13-25)20-6-4-3-5-7-20/h3-7,16-18H,8-15H2,1-2H3,(H,24,27)/p+1