N-(2,6-dimethylphenyl)-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoylamino]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoylamino]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoylamino]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[oxo-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]methyl]amino]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoylamino]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]carbamoylamino]acetamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C23H30N4O2/c1-17-8-7-9-18(2)22(17)26-21(28)15-25-23(29)24-14-19-10-3-4-11-20(19)16-27-12-5-6-13-27/h3-4,7-11H,5-6,12-16H2,1-2H3,(H,26,28)(H2,24,25,29)/p+1