4-azanyl-5-(4-methoxyphenyl)carbonyl-2-(3-morpholin-4-ium-4-ylpropylamino)-N-phenethyl-thiophene-3-carboxamide

Systemtic Name: 4-azanyl-5-(4-methoxyphenyl)carbonyl-2-(3-morpholin-4-ium-4-ylpropylamino)-N-phenethyl-thiophene-3-carboxamide Openeye Name: 4-amino-5-(4-methoxybenzoyl)-2-(3-morpholin-4-ium-4-ylpropylamino)-N-phenethyl-thiophene-3-carboxamide CAS Name: 4-amino-5-[(4-methoxyphenyl)-oxomethyl]-2-[3-(4-morpholin-4-iumyl)propylamino]-N-phenethyl-3-thiophenecarboxamide IUPAC Name: 4-amino-5-(4-methoxybenzoyl)-2-(3-morpholin-4-ium-4-ylpropylamino)-N-phenethylthiophene-3-carboxamide Traditional Name: 4-amino-2-(3-morpholin-4-ium-4-ylpropylamino)-5-p-anisoyl-N-phenethyl-thiophene-3-carboxamide Formula: C28H35N4O4S+ MolecularWeight: 523.6669

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NCCC[NH+]3CCOCC3)C(=O)NCCC4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NCCC[NH+]3CCOCC3)C(=O)NCCC4=CC=CC=C4)N

InChI

InChI=1S/C28H34N4O4S/c1-35-22-10-8-21(9-11-22)25(33)26-24(29)23(27(34)30-14-12-20-6-3-2-4-7-20)28(37-26)31-13-5-15-32-16-18-36-19-17-32/h2-4,6-11,31H,5,12-19,29H2,1H3,(H,30,34)/p+1