2-adamantyl-[(2R)-1-oxidanylidene-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium

Systemtic Name: 2-adamantyl-[(2R)-1-oxidanylidene-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium Openeye Name: 2-adamantyl-[(1R)-1-methyl-2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]ammonium CAS Name: 2-adamantyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]ammonium IUPAC Name: 2-adamantyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium Traditional Name: 2-adamantyl-[(1R)-2-keto-1-methyl-2-[2-(2-thienyl)ethylamino]ethyl]ammonium Formula: C19H29N2OS+ MolecularWeight: 333.51136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CS1)[NH2+]C2C3CC4CC(C3)CC2C4

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CS1)[NH2+]C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C19H28N2OS/c1-12(19(22)20-5-4-17-3-2-6-23-17)21-18-15-8-13-7-14(10-15)11-16(18)9-13/h2-3,6,12-16,18,21H,4-5,7-11H2,1H3,(H,20,22)/p+1/t12-,13?,14?,15?,16?,18?/m1/s1