(2R)-N-(tert-butylcarbamoyl)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]amino]propanamide

Systemtic Name: (2R)-N-(tert-butylcarbamoyl)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]amino]propanamide Openeye Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-anilino]propanamide CAS Name: (2R)-N-[(tert-butylamino)-oxomethyl]-2-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylanilino]propanamide IUPAC Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylanilino]propanamide Traditional Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-anilino]propionamide Formula: C21H36N5O2+ MolecularWeight: 390.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(C)C(=O)NC(=O)NC(C)(C)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)N[C@H](C)C(=O)NC(=O)NC(C)(C)C)C

InChI

InChI=1S/C21H35N5O2/c1-7-25-10-12-26(13-11-25)17-8-9-18(15(2)14-17)22-16(3)19(27)23-20(28)24-21(4,5)6/h8-9,14,16,22H,7,10-13H2,1-6H3,(H2,23,24,27,28)/p+1/t16-/m1/s1