N-[3-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]amino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C25H28N3O4S+ MolecularWeight: 466.57252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C25H27N3O4S/c1-31-21-9-7-18(8-10-21)22(28-11-13-32-14-12-28)17-26-24(29)19-4-2-5-20(16-19)27-25(30)23-6-3-15-33-23/h2-10,15-16,22H,11-14,17H2,1H3,(H,26,29)(H,27,30)/p+1/t22-/m0/s1