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

Systemtic Name: 1-adamantyl-[(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantyl-[(1R)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantyl-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantyl-[(1R)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl]ammonium Formula: C19H26ClN2O+ MolecularWeight: 333.87554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN2O/c1-12(18(23)21-17-4-2-3-16(20)8-17)22-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,12-15,22H,5-7,9-11H2,1H3,(H,21,23)/p+1/t12-,13?,14?,15?,19?/m1/s1