methyl-(naphthalen-2-ylmethyl)-[(2R)-1-oxidanylidene-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium

Systemtic Name: methyl-(naphthalen-2-ylmethyl)-[(2R)-1-oxidanylidene-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium Openeye Name: methyl-[(1R)-1-methyl-2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]-(2-naphthylmethyl)ammonium CAS Name: methyl-(2-naphthalenylmethyl)-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]ammonium IUPAC Name: methyl-(naphthalen-2-ylmethyl)-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-[2-(2-thienyl)ethylamino]ethyl]-methyl-(2-naphthylmethyl)ammonium Formula: C21H25N2OS+ MolecularWeight: 353.501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CS1)[NH+](C)CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CS1)[NH+](C)CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H24N2OS/c1-16(21(24)22-12-11-20-8-5-13-25-20)23(2)15-17-9-10-18-6-3-4-7-19(18)14-17/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,22,24)/p+1/t16-/m1/s1