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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-(3-cyanopropyl)-methyl-azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-(3-cyanopropyl)-methyl-ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-(3-cyanopropyl)-methylammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-(3-cyanopropyl)-methylazanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-(3-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)CCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN3O/c1-11-9-12(15)5-6-13(11)17-14(19)10-18(2)8-4-3-7-16/h5-6,9H,3-4,8,10H2,1-2H3,(H,17,19)/p+1