6-bromanyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazoline

Systemtic Name: 6-bromanyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazoline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-bromo-quinazoline CAS Name: 6-bromo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinazoline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-bromoquinazoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-bromo-quinazoline Formula: C19H20BrN4+ MolecularWeight: 384.2929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3C=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C19H19BrN4/c20-16-6-7-18-17(12-16)19(22-14-21-18)24-10-8-23(9-11-24)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2/p+1