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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCN(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCN(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-18(23(28)24-21-10-8-20(9-11-21)19(2)27)26-14-12-25(13-15-26)16-17-29-22-6-4-3-5-7-22/h3-11,18H,12-17H2,1-2H3,(H,24,28)/p+1/t18-/m1/s1