1-adamantylmethyl-[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1-adamantylmethyl-[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantylmethyl-[(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantylmethyl-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantylmethyl-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantylmethyl-[(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl]ammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH2+]CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH2+]CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27N3O/c1-14(20(25)24-19-5-3-2-4-18(19)12-22)23-13-21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,14-17,23H,6-11,13H2,1H3,(H,24,25)/p+1/t14-,15?,16?,17?,21?/m1/s1