2-(azocan-1-ium-1-ylmethyl)-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-7-chloranyl-1H-quinazolin-4-one Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-7-chloro-1H-quinazolin-4-one CAS Name: 2-(1-azocan-1-iumylmethyl)-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-7-chloro-1H-quinazolin-4-one Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-7-chloro-1H-quinazolin-4-one Formula: C16H21ClN3O+ MolecularWeight: 306.81044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C16H20ClN3O/c17-12-6-7-13-14(10-12)18-15(19-16(13)21)11-20-8-4-2-1-3-5-9-20/h6-7,10H,1-5,8-9,11H2,(H,18,19,21)/p+1