N-(2,6-dimethylphenyl)-2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(2,6-dimethylphenyl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(2,6-dimethylphenyl)acetamide Formula: C27H33N3O+2 MolecularWeight: 415.57042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O/c1-21-10-9-11-22(2)26(21)28-25(31)20-29-16-18-30(19-17-29)27(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-15,27H,16-20H2,1-2H3,(H,28,31)/p+2