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

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

Systemtic Name:1-adamantyl-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium
Openeye Name:1-adamantyl-[(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]ammonium
CAS Name:1-adamantyl-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]ammonium
IUPAC Name:1-adamantyl-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]azanium
Traditional Name:1-adamantyl-[(1R)-2-(3-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(=C1)C#N)[NH2+]C23CC4CC(C2)CC(C4)C3


Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)[NH2+]C23CC4CC(C2)CC(C4)C3


InChI

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


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