1-[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(5-bromo-2-thiophenyl)methyl-ethylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C15H23BrN3O2S+ MolecularWeight: 389.33102

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)C(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)C(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C15H22BrN3O2S/c1-2-19(9-12-3-4-13(16)22-12)14(20)10-18-7-5-11(6-8-18)15(17)21/h3-4,11H,2,5-10H2,1H3,(H2,17,21)/p+1