(2R)-N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-methylpropanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-propionamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H30N4O2/c1-17(20(27)23(2)21(16-22)10-4-3-5-11-21)24-12-14-25(15-13-24)18-6-8-19(26)9-7-18/h6-9,17,26H,3-5,10-15H2,1-2H3/p+1/t17-/m1/s1