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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C23H29N3O3S/c27-21(17-7-2-1-3-8-17)25-23-20(18-9-4-5-10-19(18)30-23)22(28)24-11-6-12-26-13-15-29-16-14-26/h1-3,7-8H,4-6,9-16H2,(H,24,28)(H,25,27)/p+1