N-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[4-(4-ethoxybenzyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H27N3O3S/c1-2-31-20-11-9-19(10-12-20)18-27-13-15-28(16-14-27)25(30)21-6-3-4-7-22(21)26-24(29)23-8-5-17-32-23/h3-12,17H,2,13-16,18H2,1H3,(H,26,29)/p+1