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

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(2-methoxyethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(2-methoxyethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

COCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-26-13-10-21-19(25)18-15-8-4-5-9-16(15)27-20(18)22-17(24)14-23-11-6-2-3-7-12-23/h2-14H2,1H3,(H,21,25)(H,22,24)/p+1