2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2,5-diethoxyphenyl)ethanamide

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2,5-diethoxyphenyl)ethanamide Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2,5-diethoxyphenyl)acetamide CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]-N-(2,5-diethoxyphenyl)acetamide IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2,5-diethoxyphenyl)acetamide Traditional Name: 2-[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]-N-(2,5-diethoxyphenyl)acetamide Formula: C23H31ClN3O3+ MolecularWeight: 432.96354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H30ClN3O3/c1-3-29-20-9-10-22(30-4-2)21(15-20)25-23(28)17-27-13-11-26(12-14-27)16-18-5-7-19(24)8-6-18/h5-10,15H,3-4,11-14,16-17H2,1-2H3,(H,25,28)/p+1