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

Systemtic Name: N-(2,6-dimethylphenyl)-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(2,6-dimethylphenyl)benzamide CAS Name: N-(2,6-dimethylphenyl)-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]benzamide IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(2,6-dimethylphenyl)benzamide Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(2,6-dimethylphenyl)benzamide Formula: C27H32N3O+ MolecularWeight: 414.56248

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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+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(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+1