(1R,2R)-2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2R)-2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2R)-2-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]cyclohexanecarboxylate Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C19H27N3O3/c1-21-10-12-22(13-11-21)15-8-6-14(7-9-15)20-18(23)16-4-2-3-5-17(16)19(24)25/h6-9,16-17H,2-5,10-13H2,1H3,(H,20,23)(H,24,25)/t16-,17-/m1/s1