N-(5-acetamido-2-methoxy-phenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C23H32N4O3+2 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)NC(=O)C)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)NC(=O)C)OC

InChI

InChI=1S/C23H30N4O3/c1-17-5-4-6-19(13-17)15-26-9-11-27(12-10-26)16-23(29)25-21-14-20(24-18(2)28)7-8-22(21)30-3/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,24,28)(H,25,29)/p+2