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

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide Formula: C22H30N4O3+2 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-17(27)23-19-8-9-21(29-2)20(14-19)24-22(28)16-26-12-10-25(11-13-26)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)(H,24,28)/p+2