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

Systemtic Name: N-[4-[4-[2-(ethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-[2-(ethylamino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[4-[2-(ethylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[4-[2-(ethylamino)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c1-2-21-18(25)14-23-9-11-24(12-10-23)20(27)15-5-7-16(8-6-15)22-19(26)17-4-3-13-28-17/h3-8,13H,2,9-12,14H2,1H3,(H,21,25)(H,22,26)/p+1