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

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]-N-(3-phenylpropyl)acetamide Formula: C23H33N3O+2 MolecularWeight: 367.52762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O/c1-20-8-5-6-12-22(20)18-25-14-16-26(17-15-25)19-23(27)24-13-7-11-21-9-3-2-4-10-21/h2-6,8-10,12H,7,11,13-19H2,1H3,(H,24,27)/p+2