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

Systemtic Name: (2R)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Openeye Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide CAS Name: (2R)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(2-methoxyphenyl)propanamide IUPAC Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Traditional Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propionamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H27N3O3/c1-16(22(27)23-20-6-4-5-7-21(20)28-3)24-12-14-25(15-13-24)19-10-8-18(9-11-19)17(2)26/h4-11,16H,12-15H2,1-3H3,(H,23,27)/p+1/t16-/m1/s1