5-bromanyl-N-[1-[2-oxidanylidene-2-(propylamino)ethyl]piperidin-1-ium-4-yl]thiophene-3-carboxamide

Systemtic Name: 5-bromanyl-N-[1-[2-oxidanylidene-2-(propylamino)ethyl]piperidin-1-ium-4-yl]thiophene-3-carboxamide Openeye Name: 5-bromo-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-1-ium-4-yl]thiophene-3-carboxamide CAS Name: 5-bromo-N-[1-[2-oxo-2-(propylamino)ethyl]-4-piperidin-1-iumyl]-3-thiophenecarboxamide IUPAC Name: 5-bromo-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-1-ium-4-yl]thiophene-3-carboxamide Traditional Name: 5-bromo-N-[1-[2-keto-2-(propylamino)ethyl]piperidin-1-ium-4-yl]thiophene-3-carboxamide Formula: C15H23BrN3O2S+ MolecularWeight: 389.33102

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCC(CC1)NC(=O)C2=CSC(=C2)Br

Isomeric SMILES

CCCNC(=O)C[NH+]1CCC(CC1)NC(=O)C2=CSC(=C2)Br

InChI

InChI=1S/C15H22BrN3O2S/c1-2-5-17-14(20)9-19-6-3-12(4-7-19)18-15(21)11-8-13(16)22-10-11/h8,10,12H,2-7,9H2,1H3,(H,17,20)(H,18,21)/p+1