2-[4-(4-phenylmethoxyphenyl)carbonylpiperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-(4-phenylmethoxyphenyl)carbonylpiperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-(4-benzyloxybenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-(4-phenylmethoxyphenyl)methyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-(4-phenylmethoxybenzoyl)piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-(4-benzoxybenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O3/c1-2-12-24-22(27)17-25-13-15-26(16-14-25)23(28)20-8-10-21(11-9-20)29-18-19-6-4-3-5-7-19/h2-11H,1,12-18H2,(H,24,27)/p+1