(2R)-N,N-dimethyl-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-N,N-dimethyl-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-N,N-dimethyl-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-N,N-dimethyl-2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-2-phenylacetamide IUPAC Name: (2R)-N,N-dimethyl-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-2-phenylacetamide Traditional Name: (2R)-N,N-dimethyl-2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]-2-phenyl-acetamide Formula: C22H31N3O+2 MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O/c1-18-8-7-9-19(16-18)17-24-12-14-25(15-13-24)21(22(26)23(2)3)20-10-5-4-6-11-20/h4-11,16,21H,12-15,17H2,1-3H3/p+2/t21-/m1/s1