3-[4-[[5-methyl-3-(1-methylcyclohexyl)-2-oxidanyl-phenyl]methyl]piperazin-4-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[[5-methyl-3-(1-methylcyclohexyl)-2-oxidanyl-phenyl]methyl]piperazin-4-ium-1-yl]propanenitrile Openeye Name: 3-[4-[[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]methyl]piperazin-4-ium-1-yl]propanenitrile CAS Name: 3-[4-[[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]methyl]-1-piperazin-4-iumyl]propanenitrile IUPAC Name: 3-[4-[[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]methyl]piperazin-4-ium-1-yl]propanenitrile Traditional Name: 3-[4-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)benzyl]piperazin-4-ium-1-yl]propionitrile Formula: C22H34N3O+ MolecularWeight: 356.52486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2(CCCCC2)C)O)C[NH+]3CCN(CC3)CCC#N

Isomeric SMILES

CC1=CC(=C(C(=C1)C2(CCCCC2)C)O)C[NH+]3CCN(CC3)CCC#N

InChI

InChI=1S/C22H33N3O/c1-18-15-19(17-25-13-11-24(12-14-25)10-6-9-23)21(26)20(16-18)22(2)7-4-3-5-8-22/h15-16,26H,3-8,10-14,17H2,1-2H3/p+1