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

Systemtic Name: (2R)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide Openeye Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide CAS Name: (2R)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(3-methoxyphenyl)propanamide IUPAC Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide Traditional Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propionamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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