N'-(7-chloranylquinazolin-4-yl)-N-pyridin-1-ium-2-yl-propane-1,3-diamine

Systemtic Name: N'-(7-chloranylquinazolin-4-yl)-N-pyridin-1-ium-2-yl-propane-1,3-diamine Openeye Name: N'-(7-chloroquinazolin-4-yl)-N-pyridin-1-ium-2-yl-propane-1,3-diamine CAS Name: N'-(7-chloro-4-quinazolinyl)-N-(2-pyridin-1-iumyl)propane-1,3-diamine IUPAC Name: N'-(7-chloroquinazolin-4-yl)-N-pyridin-1-ium-2-ylpropane-1,3-diamine Traditional Name: (7-chloroquinazolin-4-yl)-[3-(pyridin-1-ium-2-ylamino)propyl]amine Formula: C16H17ClN5+ MolecularWeight: 314.79268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NCCCNC2=NC=NC3=C2C=CC(=C3)Cl

Isomeric SMILES

C1=CC=[NH+]C(=C1)NCCCNC2=NC=NC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C16H16ClN5/c17-12-5-6-13-14(10-12)21-11-22-16(13)20-9-3-8-19-15-4-1-2-7-18-15/h1-2,4-7,10-11H,3,8-9H2,(H,18,19)(H,20,21,22)/p+1