N-(2,3-dimethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(3R)-1-oxo-3-phenylbutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-ium-1-yl]acetamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2/c1-18-8-7-11-22(20(18)3)25-23(28)17-26-12-14-27(15-13-26)24(29)16-19(2)21-9-5-4-6-10-21/h4-11,19H,12-17H2,1-3H3,(H,25,28)/p+1/t19-/m1/s1