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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[3-(phenylcarbamoylamino)propanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[3-(phenylcarbamoylamino)propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[3-[[anilino(oxo)methyl]amino]-1-oxopropyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[3-(phenylcarbamoylamino)propanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[3-(phenylcarbamoylamino)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C24H32N5O3+ MolecularWeight: 438.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CCNC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CCNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H31N5O3/c1-18-7-6-8-19(2)23(18)27-21(30)17-28-13-15-29(16-14-28)22(31)11-12-25-24(32)26-20-9-4-3-5-10-20/h3-10H,11-17H2,1-2H3,(H,27,30)(H2,25,26,32)/p+1