1-adamantyl-[(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1-adamantyl-[(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantyl-[(1R)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantyl-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantyl-[(1R)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl]ammonium Formula: C19H26BrN2O+ MolecularWeight: 378.32654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN2O/c1-12(18(23)21-17-4-2-16(20)3-5-17)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15,22H,6-11H2,1H3,(H,21,23)/p+1/t12-,13?,14?,15?,19?/m1/s1