2-azanyl-N-(pyridin-1-ium-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-azanyl-N-(pyridin-1-ium-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-amino-N-(pyridin-1-ium-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-amino-N-(3-pyridin-1-iumylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-amino-N-(pyridin-1-ium-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-amino-N-(pyridin-1-ium-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C16H20N3OS+ MolecularWeight: 302.4145

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)NCC3=C[NH+]=CC=C3)N

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)NCC3=C[NH+]=CC=C3)N

InChI

InChI=1S/C16H19N3OS/c17-15-14(12-6-2-1-3-7-13(12)21-15)16(20)19-10-11-5-4-8-18-9-11/h4-5,8-9H,1-3,6-7,10,17H2,(H,19,20)/p+1