N-(2,6-dimethylphenyl)-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]benzamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]benzamide Openeye Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(2,6-dimethylphenyl)benzamide CAS Name: N-(2,6-dimethylphenyl)-4-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]benzamide IUPAC Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(2,6-dimethylphenyl)benzamide Traditional Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(2,6-dimethylphenyl)benzamide Formula: C27H33N3O+2 MolecularWeight: 415.57042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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