N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H31N3O3S+2 MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3O3S/c1-2-26-18-5-7-19(8-6-18)27-14-9-22-21(25)17-24-12-10-23(11-13-24)16-20-4-3-15-28-20/h3-8,15H,2,9-14,16-17H2,1H3,(H,22,25)/p+2