ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[(2R)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]azanium

Systemtic Name: ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[(2R)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]azanium Openeye Name: ethyl-[(1R)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methyl]ammonium CAS Name: ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]ammonium IUPAC Name: ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium Traditional Name: ethyl-[(1R)-2-(isopropylamino)-2-keto-1-methyl-ethyl]-[3-methoxy-4-(2-thenyloxy)benzyl]ammonium Formula: C21H31N2O3S+ MolecularWeight: 391.54744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3S/c1-6-23(16(4)21(24)22-15(2)3)13-17-9-10-19(20(12-17)25-5)26-14-18-8-7-11-27-18/h7-12,15-16H,6,13-14H2,1-5H3,(H,22,24)/p+1/t16-/m1/s1