N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[2-[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=CC=C3C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=CC=C3C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C23H29N3O3S/c27-22(24-10-5-11-26-12-14-29-15-13-26)18-7-2-3-8-19(18)25-23(28)21-16-17-6-1-4-9-20(17)30-21/h2-3,7-8,16H,1,4-6,9-15H2,(H,24,27)(H,25,28)/p+1