N-(2,6-dimethylphenyl)-2-[4-(4-propoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(4-propoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(4-propoxybenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(4-propoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(4-propoxybenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C24H31N3O3/c1-4-16-30-21-10-8-20(9-11-21)24(29)27-14-12-26(13-15-27)17-22(28)25-23-18(2)6-5-7-19(23)3/h5-11H,4,12-17H2,1-3H3,(H,25,28)/p+1