(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide

Systemtic Name: (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide Openeye Name: (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide CAS Name: (2R)-2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-N-[(cyclohexylamino)-oxomethyl]propanamide IUPAC Name: (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide Traditional Name: (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propionamide Formula: C20H30ClN4O2+ MolecularWeight: 393.9308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)[NH+]2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H29ClN4O2/c1-15(19(26)23-20(27)22-16-7-3-2-4-8-16)24-11-13-25(14-12-24)18-10-6-5-9-17(18)21/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H2,22,23,26,27)/p+1/t15-/m1/s1