[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2S)-2-cyanopropyl]-methyl-azanium

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2S)-2-cyanopropyl]-methyl-azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-[(2S)-2-cyanopropyl]-methyl-ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(2S)-2-cyanopropyl]-methylammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(2S)-2-cyanopropyl]-methylazanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-[(2S)-2-cyanopropyl]-methyl-ammonium Formula: C14H19BrN3O+ MolecularWeight: 325.22416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC(C)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)C[C@H](C)C#N

InChI

InChI=1S/C14H18BrN3O/c1-10(7-16)8-18(3)9-14(19)17-13-5-4-12(15)6-11(13)2/h4-6,10H,8-9H2,1-3H3,(H,17,19)/p+1/t10-/m1/s1