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

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N-methylpropanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-propionamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O2/c1-18(21(27)24(2)22(17-23)11-5-4-6-12-22)25-13-15-26(16-14-25)19-7-9-20(28-3)10-8-19/h7-10,18H,4-6,11-16H2,1-3H3/p+1/t18-/m1/s1