(2S)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide

Systemtic Name: (2S)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide Openeye Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-isopropyl-6-methyl-phenyl)propanamide CAS Name: (2S)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C25H33N3O2/c1-17(2)23-8-6-7-18(3)24(23)26-25(30)19(4)27-13-15-28(16-14-27)22-11-9-21(10-12-22)20(5)29/h6-12,17,19H,13-16H2,1-5H3,(H,26,30)/p+1/t19-/m0/s1