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

Systemtic Name: N-[3-[[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[[(2R)-3-methyl-2-(4-morpholin-4-iumyl)butyl]amino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[(2R)-3-methyl-2-morpholin-4-ium-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)[C@H](CNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CS2)[NH+]3CCOCC3

InChI

InChI=1S/C21H27N3O3S/c1-15(2)18(24-8-10-27-11-9-24)14-22-20(25)16-5-3-6-17(13-16)23-21(26)19-7-4-12-28-19/h3-7,12-13,15,18H,8-11,14H2,1-2H3,(H,22,25)(H,23,26)/p+1/t18-/m0/s1