N-(2-hydroxyphenyl)-1-[2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-hydroxyphenyl)-1-[2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[2-[4-methoxy-N-(2-thienylmethyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[2-keto-2-[4-methoxy-N-(2-thenyl)anilino]ethyl]piperidin-1-ium-4-carboxamide Formula: C26H30N3O4S+ MolecularWeight: 480.5991

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4O

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4O

InChI

InChI=1S/C26H29N3O4S/c1-33-21-10-8-20(9-11-21)29(17-22-5-4-16-34-22)25(31)18-28-14-12-19(13-15-28)26(32)27-23-6-2-3-7-24(23)30/h2-11,16,19,30H,12-15,17-18H2,1H3,(H,27,32)/p+1