2-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-3-(1-pyrrolidin-1-iumyl)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CC[NH+]3CCCC3)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CC[NH+]3CCCC3)C(=O)N

InChI

InChI=1S/C16H23N3O2S/c17-15(21)14-11-5-1-2-6-12(11)22-16(14)18-13(20)7-10-19-8-3-4-9-19/h1-10H2,(H2,17,21)(H,18,20)/p+1