4-[(2R)-3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2R)-3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2R)-2-hydroxy-3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]propoxy]benzonitrile CAS Name: 4-[(2R)-2-hydroxy-3-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]propoxy]benzonitrile IUPAC Name: 4-[(2R)-2-hydroxy-3-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]propoxy]benzonitrile Traditional Name: 4-[(2R)-2-hydroxy-3-[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]propoxy]benzonitrile Formula: C23H31N3O3+2 MolecularWeight: 397.51054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)C[C@H](COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C23H29N3O3/c1-18-3-8-23(28-2)20(13-18)15-25-9-11-26(12-10-25)16-21(27)17-29-22-6-4-19(14-24)5-7-22/h3-8,13,21,27H,9-12,15-17H2,1-2H3/p+2/t21-/m1/s1