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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(3,3-diphenylpropanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(3,3-diphenylpropanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-(1-oxo-3,3-diphenylpropyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(3,3-diphenylpropanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(3,3-diphenylpropanoyl)piperazin-1-ium-1-yl]acetamide Formula: C29H34N3O2+ MolecularWeight: 456.59916

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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(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H33N3O2/c1-22-10-9-11-23(2)29(22)30-27(33)21-31-16-18-32(19-17-31)28(34)20-26(24-12-5-3-6-13-24)25-14-7-4-8-15-25/h3-15,26H,16-21H2,1-2H3,(H,30,33)/p+1