ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]azanium

Systemtic Name: ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]azanium Openeye Name: ethyl-[2-(isopropylcarbamoylamino)-2-oxo-ethyl]-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methyl]ammonium CAS Name: ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]ammonium IUPAC Name: ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium Traditional Name: ethyl-[2-(isopropylcarbamoylamino)-2-keto-ethyl]-[3-methoxy-4-(2-thenyloxy)benzyl]ammonium Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OCC2=CC=CS2)OC)CC(=O)NC(=O)NC(C)C

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OCC2=CC=CS2)OC)CC(=O)NC(=O)NC(C)C

InChI

InChI=1S/C21H29N3O4S/c1-5-24(13-20(25)23-21(26)22-15(2)3)12-16-8-9-18(19(11-16)27-4)28-14-17-7-6-10-29-17/h6-11,15H,5,12-14H2,1-4H3,(H2,22,23,25,26)/p+1