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

Systemtic Name: (2R)-N-methyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-N-methyl-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]-N-phenyl-propanamide CAS Name: (2R)-N-methyl-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-phenylpropanamide IUPAC Name: (2R)-N-methyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide Traditional Name: (2R)-N-methyl-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]-N-phenyl-propionamide Formula: C22H31N3O+2 MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O/c1-18-9-7-8-10-20(18)17-24-13-15-25(16-14-24)19(2)22(26)23(3)21-11-5-4-6-12-21/h4-12,19H,13-17H2,1-3H3/p+2/t19-/m1/s1