(2S)-N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H34N3O2+ MolecularWeight: 360.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CCN(C1CCCCC1)C(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C21H33N3O2/c1-3-24(18-9-5-4-6-10-18)21(26)17(2)22-13-15-23(16-14-22)19-11-7-8-12-20(19)25/h7-8,11-12,17-18,25H,3-6,9-10,13-16H2,1-2H3/p+1/t17-/m0/s1