(2R)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-propanamide

Systemtic Name: (2R)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]-N-phenyl-propanamide CAS Name: (2R)-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-phenylpropanamide IUPAC Name: (2R)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide Traditional Name: (2R)-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]-N-phenyl-propionamide Formula: C21H29N3O+2 MolecularWeight: 339.47446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)C(C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-17-8-6-7-9-19(17)16-23-12-14-24(15-13-23)18(2)21(25)22-20-10-4-3-5-11-20/h3-11,18H,12-16H2,1-2H3,(H,22,25)/p+2/t18-/m1/s1