N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H33N5O3+2 MolecularWeight: 403.51842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)N3CCCC3)C

InChI

InChI=1S/C21H31N5O3/c1-16-5-6-18(17(2)13-16)22-21(29)23-19(27)14-24-9-11-25(12-10-24)15-20(28)26-7-3-4-8-26/h5-6,13H,3-4,7-12,14-15H2,1-2H3,(H2,22,23,27,29)/p+2