N-(2-methoxyethyl)-2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(2-methoxyethyl)-2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2-methoxyethyl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-methoxyethyl)-2-[[1-oxo-2-(3-oxo-1-piperazin-1-iumyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-methoxyethyl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(3-ketopiperazin-1-ium-1-yl)acetyl]amino]-N-(2-methoxyethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

COCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C18H26N4O4S/c1-26-9-7-20-17(25)16-12-4-2-3-5-13(12)27-18(16)21-15(24)11-22-8-6-19-14(23)10-22/h2-11H2,1H3,(H,19,23)(H,20,25)(H,21,24)/p+1