N-(2-ethylphenyl)-2-[4-[2-(3-methylphenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(3-methylphenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[2-(3-methylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC(=C3)C

InChI

InChI=1S/C23H29N3O3/c1-3-19-8-4-5-10-21(19)24-22(27)16-25-11-13-26(14-12-25)23(28)17-29-20-9-6-7-18(2)15-20/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,24,27)/p+1