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

Systemtic Name: N-[(1-oxidanylcyclohexyl)methyl]-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(1-hydroxycyclohexyl)methyl]-2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(1-hydroxycyclohexyl)methyl]-2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1-hydroxycyclohexyl)methyl]-2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetamide Traditional Name: N-[(1-hydroxycyclohexyl)methyl]-2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]acetamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3)O

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3)O

InChI

InChI=1S/C21H31N3O3/c25-19(23-16-21(27)10-5-2-6-11-21)15-18-20(26)22-12-14-24(18)13-9-17-7-3-1-4-8-17/h1,3-4,7-8,18,27H,2,5-6,9-16H2,(H,22,26)(H,23,25)/p+1/t18-/m1/s1