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

Systemtic Name: (2R)-N-methyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-methyl-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2R)-N-methyl-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-methyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2R)-N-methyl-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]propionamide Formula: C16H27N3O+2 MolecularWeight: 277.40508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-13-6-4-5-7-15(13)12-18-8-10-19(11-9-18)14(2)16(20)17-3/h4-7,14H,8-12H2,1-3H3,(H,17,20)/p+2/t14-/m1/s1