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

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C20H28N4O3S+2 MolecularWeight: 404.52632

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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=CS3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C20H26N4O3S/c1-15(25)21-16-5-6-19(27-2)18(12-16)22-20(26)14-24-9-7-23(8-10-24)13-17-4-3-11-28-17/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,21,25)(H,22,26)/p+2