N-[(2-chlorophenyl)methyl]-2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[(2R)-1-(cyclohexylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[(2R)-1-(cyclohexylmethyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(2-chlorobenzyl)-2-[(2R)-1-(cyclohexylmethyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C20H29ClN3O2+ MolecularWeight: 378.91616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCNC(=O)C2CC(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H28ClN3O2/c21-17-9-5-4-8-16(17)13-23-19(25)12-18-20(26)22-10-11-24(18)14-15-6-2-1-3-7-15/h4-5,8-9,15,18H,1-3,6-7,10-14H2,(H,22,26)(H,23,25)/p+1/t18-/m1/s1