2-[4-(7-chloranylquinazolin-4-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(7-chloranylquinazolin-4-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(7-chloroquinazolin-4-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(7-chloro-4-quinazolinyl)-1,4-diazepan-1-ium-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(7-chloroquinazolin-4-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(7-chloroquinazolin-4-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C19H25ClN5O+ MolecularWeight: 374.8877

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl

InChI

InChI=1S/C19H24ClN5O/c20-15-4-5-16-17(12-15)21-14-22-19(16)25-9-3-6-23(10-11-25)13-18(26)24-7-1-2-8-24/h4-5,12,14H,1-3,6-11,13H2/p+1