N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2/c1-16-8-9-19(17(2)14-16)22-21(27)23-20(26)15-24-10-12-25(13-11-24)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H2,22,23,26,27)/p+1