1-adamantylmethyl-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1-adamantylmethyl-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantylmethyl-[(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantylmethyl-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantylmethyl-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantylmethyl-[(1R)-2-(3-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(=C1)C#N)[NH2+]CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)[NH2+]CC23CC4CC(C2)CC(C4)C3

InChI

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