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

Systemtic Name: 2-benzamido-N-(2-morpholin-4-ium-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-benzamido-N-(2-morpholin-4-ium-4-ylethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-benzamido-N-[2-(4-morpholin-4-iumyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-benzamido-N-(2-morpholin-4-ium-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-benzamido-N-(2-morpholin-4-ium-4-ylethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c26-20(16-6-2-1-3-7-16)24-22-19(17-8-4-5-9-18(17)29-22)21(27)23-10-11-25-12-14-28-15-13-25/h1-3,6-7H,4-5,8-15H2,(H,23,27)(H,24,26)/p+1