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

Systemtic Name: 1-adamantyl-[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantyl-[(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantyl-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantyl-[(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl]ammonium Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H25N3O/c1-13(19(24)22-18-5-3-2-4-17(18)12-21)23-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,13-16,23H,6-11H2,1H3,(H,22,24)/p+1/t13-,14?,15?,16?,20?/m1/s1