1-adamantyl-[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-(3-bromo-4-methylanilino)-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-(3-bromo-4-methylanilino)-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-(3-bromo-4-methyl-anilino)-2-keto-ethyl]ammonium Formula: C19H26BrN2O+ MolecularWeight: 378.32654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br

InChI

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