N-[5-ethyl-3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-(3-methoxyphenyl)methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[5-ethyl-3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-(3-methoxyphenyl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-(3-methoxyphenyl)methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]-(3-methoxyphenyl)methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-(3-methoxyphenyl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-(3-methoxyphenyl)methyl]-2-thienyl]benzamide Formula: C27H35N3O3S+2 MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC(=CC=C3)OC)[NH+]4CC[NH+](CC4)CCO

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC(=CC=C3)OC)[NH+]4CC[NH+](CC4)CCO

InChI

InChI=1S/C27H33N3O3S/c1-3-23-19-24(27(34-23)28-26(32)20-8-5-4-6-9-20)25(21-10-7-11-22(18-21)33-2)30-14-12-29(13-15-30)16-17-31/h4-11,18-19,25,31H,3,12-17H2,1-2H3,(H,28,32)/p+2