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

Systemtic Name: 1-[2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[4-methoxy-N-(2-thienylmethyl)anilino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[4-methoxy-N-(2-thenyl)anilino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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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=C4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-32-23-11-9-22(10-12-23)29(18-24-8-5-17-33-24)25(30)19-28-15-13-20(14-16-28)26(31)27-21-6-3-2-4-7-21/h2-12,17,20H,13-16,18-19H2,1H3,(H,27,31)/p+1