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2-[2-methoxy-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phenoxy]ethanamide

2-[2-methoxy-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phenoxy]ethanamide

Systemtic Name:2-[2-methoxy-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phenoxy]ethanamide
Openeye Name:2-[2-methoxy-4-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]phenoxy]acetamide
CAS Name:2-[2-methoxy-4-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]phenoxy]acetamide
IUPAC Name:2-[2-methoxy-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]phenoxy]acetamide
Traditional Name:2-[2-methoxy-4-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]phenoxy]acetamide
Formula: C19H24N3O4S+
MolecularWeight: 390.47656
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3)OCC(=O)N


Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3)OCC(=O)N


InChI

InChI=1S/C19H23N3O4S/c1-25-17-10-15(2-3-16(17)26-12-18(20)23)19(24)22-7-5-21(6-8-22)11-14-4-9-27-13-14/h2-4,9-10,13H,5-8,11-12H2,1H3,(H2,20,23)/p+1


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