(2R)-N-(4-ethanoylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-ethanoylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H29N3O3/c1-4-29-22-8-6-5-7-21(22)26-15-13-25(14-16-26)17(2)23(28)24-20-11-9-19(10-12-20)18(3)27/h5-12,17H,4,13-16H2,1-3H3,(H,24,28)/p+1/t17-/m1/s1