2-[4-[(3-azanyl-6-bromanyl-quinolin-1-ium-4-yl)amino]phenyl]-2-methyl-propanenitrile

Systemtic Name: 2-[4-[(3-azanyl-6-bromanyl-quinolin-1-ium-4-yl)amino]phenyl]-2-methyl-propanenitrile Openeye Name: 2-[4-[(3-amino-6-bromo-quinolin-1-ium-4-yl)amino]phenyl]-2-methyl-propanenitrile CAS Name: 2-[4-[(3-amino-6-bromo-4-quinolin-1-iumyl)amino]phenyl]-2-methylpropanenitrile IUPAC Name: 2-[4-[(3-amino-6-bromoquinolin-1-ium-4-yl)amino]phenyl]-2-methylpropanenitrile Traditional Name: 2-[4-[(3-amino-6-bromo-quinolin-1-ium-4-yl)amino]phenyl]-2-methyl-propionitrile Formula: C19H18BrN4+ MolecularWeight: 382.27702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=[NH+]C=C2N)Br

Isomeric SMILES

CC(C)(C#N)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=[NH+]C=C2N)Br

InChI

InChI=1S/C19H17BrN4/c1-19(2,11-21)12-3-6-14(7-4-12)24-18-15-9-13(20)5-8-17(15)23-10-16(18)22/h3-10H,22H2,1-2H3,(H,23,24)/p+1