2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H27N4O3S+ MolecularWeight: 367.48628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)NCCC[NH+]3CCOCC3)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)NCCC[NH+]3CCOCC3)C(=O)N

InChI

InChI=1S/C17H26N4O3S/c18-15(22)14-12-4-1-2-5-13(12)25-16(14)20-17(23)19-6-3-7-21-8-10-24-11-9-21/h1-11H2,(H2,18,22)(H2,19,20,23)/p+1