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

Systemtic Name: 2-[2-(azocan-1-ium-1-yl)ethanoylamino]-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(2-methoxyethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(1-azocan-1-iumyl)-1-oxoethyl]amino]-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(2-methoxyethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[NH+]3CCCCCCC3

Isomeric SMILES

COCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[NH+]3CCCCCCC3

InChI

InChI=1S/C21H33N3O3S/c1-27-14-11-22-20(26)19-16-9-5-6-10-17(16)28-21(19)23-18(25)15-24-12-7-3-2-4-8-13-24/h2-15H2,1H3,(H,22,26)(H,23,25)/p+1