1-(azepan-1-yl)-2-[4-(7-chloranylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(7-chloranylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(7-chloroquinazolin-4-yl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(7-chloro-4-quinazolinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(7-chloroquinazolin-4-yl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(7-chloroquinazolin-4-yl)piperazin-1-ium-1-yl]ethanone Formula: C20H27ClN5O+ MolecularWeight: 388.91428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl

InChI

InChI=1S/C20H26ClN5O/c21-16-5-6-17-18(13-16)22-15-23-20(17)26-11-9-24(10-12-26)14-19(27)25-7-3-1-2-4-8-25/h5-6,13,15H,1-4,7-12,14H2/p+1