4-[4-(naphthalen-2-ylmethyl)piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-[4-(naphthalen-2-ylmethyl)piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-(2-naphthylmethyl)piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline CAS Name: 4-[4-(2-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-(naphthalen-2-ylmethyl)piperazin-4-ium-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[4-(2-naphthylmethyl)piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline Formula: C28H26N5+ MolecularWeight: 432.53954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3C=C2)C4=NC(=NC5=CC=CC=C54)C6=CN=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3C=C2)C4=NC(=NC5=CC=CC=C54)C6=CN=CC=C6

InChI

InChI=1S/C28H25N5/c1-2-7-23-18-21(11-12-22(23)6-1)20-32-14-16-33(17-15-32)28-25-9-3-4-10-26(25)30-27(31-28)24-8-5-13-29-19-24/h1-13,18-19H,14-17,20H2/p+1