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

Systemtic Name: (2R)-N-(cyclopentylcarbamoyl)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]amino]propanamide Openeye Name: (2R)-N-(cyclopentylcarbamoyl)-2-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-anilino]propanamide CAS Name: (2R)-N-[(cyclopentylamino)-oxomethyl]-2-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylanilino]propanamide IUPAC Name: (2R)-N-(cyclopentylcarbamoyl)-2-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylanilino]propanamide Traditional Name: (2R)-N-(cyclopentylcarbamoyl)-2-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-anilino]propionamide Formula: C22H36N5O2+ MolecularWeight: 402.55354

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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)NC3CCCC3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)N[C@H](C)C(=O)NC(=O)NC3CCCC3)C

InChI

InChI=1S/C22H35N5O2/c1-4-26-11-13-27(14-12-26)19-9-10-20(16(2)15-19)23-17(3)21(28)25-22(29)24-18-7-5-6-8-18/h9-10,15,17-18,23H,4-8,11-14H2,1-3H3,(H2,24,25,28,29)/p+1/t17-/m1/s1