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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)C)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H27N3O3/c1-16(22(27)23-19-9-5-4-8-18(19)17(2)26)24-12-14-25(15-13-24)20-10-6-7-11-21(20)28-3/h4-11,16H,12-15H2,1-3H3,(H,23,27)/p+1/t16-/m0/s1