(2R)-N-(3-ethanoylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-ethanoylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-acetylphenyl)-2-[4-(4-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(=C1)C(=O)C)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

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