2-azanyl-N-(pyridin-1-ium-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-azanyl-N-(pyridin-1-ium-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-amino-N-(pyridin-1-ium-3-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-amino-N-(3-pyridin-1-iumylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-amino-N-(pyridin-1-ium-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-amino-N-(pyridin-1-ium-3-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C15H18N3OS+ MolecularWeight: 288.38792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N)C(=O)NCC3=C[NH+]=CC=C3

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N)C(=O)NCC3=C[NH+]=CC=C3

InChI

InChI=1S/C15H17N3OS/c16-14-13(11-5-1-2-6-12(11)20-14)15(19)18-9-10-4-3-7-17-8-10/h3-4,7-8H,1-2,5-6,9,16H2,(H,18,19)/p+1