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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(3S)-1-oxo-3-phenylbutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-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:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CC(C)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2/c1-3-20-9-7-8-12-22(20)25-23(28)18-26-13-15-27(16-14-26)24(29)17-19(2)21-10-5-4-6-11-21/h4-12,19H,3,13-18H2,1-2H3,(H,25,28)/p+1/t19-/m0/s1