N-(2,6-dimethylphenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(3S)-1-oxo-3-phenylbutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[(3S)-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)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CC(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2/c1-18-8-7-9-19(2)24(18)25-22(28)17-26-12-14-27(15-13-26)23(29)16-20(3)21-10-5-4-6-11-21/h4-11,20H,12-17H2,1-3H3,(H,25,28)/p+1/t20-/m0/s1