N-[3-[4-[2-(diethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[4-[2-(diethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-[2-(diethylamino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[4-[2-(diethylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-[2-(diethylamino)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H28N4O3S/c1-3-25(4-2)20(27)16-24-10-12-26(13-11-24)22(29)17-7-5-8-18(15-17)23-21(28)19-9-6-14-30-19/h5-9,14-15H,3-4,10-13,16H2,1-2H3,(H,23,28)/p+1