2-(4-butylpiperazin-4-ium-1-yl)-6-chloranyl-4-phenyl-quinazoline

Systemtic Name: 2-(4-butylpiperazin-4-ium-1-yl)-6-chloranyl-4-phenyl-quinazoline Openeye Name: 2-(4-butylpiperazin-4-ium-1-yl)-6-chloro-4-phenyl-quinazoline CAS Name: 2-(4-butyl-1-piperazin-4-iumyl)-6-chloro-4-phenylquinazoline IUPAC Name: 2-(4-butylpiperazin-4-ium-1-yl)-6-chloro-4-phenylquinazoline Traditional Name: 2-(4-butylpiperazin-4-ium-1-yl)-6-chloro-4-phenyl-quinazoline Formula: C22H26ClN4+ MolecularWeight: 381.92164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CCN(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

Isomeric SMILES

CCCC[NH+]1CCN(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H25ClN4/c1-2-3-11-26-12-14-27(15-13-26)22-24-20-10-9-18(23)16-19(20)21(25-22)17-7-5-4-6-8-17/h4-10,16H,2-3,11-15H2,1H3/p+1