6-bromanyl-2-(4-hexylpiperazin-4-ium-1-yl)-4-phenyl-quinazoline

Systemtic Name: 6-bromanyl-2-(4-hexylpiperazin-4-ium-1-yl)-4-phenyl-quinazoline Openeye Name: 6-bromo-2-(4-hexylpiperazin-4-ium-1-yl)-4-phenyl-quinazoline CAS Name: 6-bromo-2-(4-hexyl-1-piperazin-4-iumyl)-4-phenylquinazoline IUPAC Name: 6-bromo-2-(4-hexylpiperazin-4-ium-1-yl)-4-phenylquinazoline Traditional Name: 6-bromo-2-(4-hexylpiperazin-4-ium-1-yl)-4-phenyl-quinazoline Formula: C24H30BrN4+ MolecularWeight: 454.4258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29BrN4/c1-2-3-4-8-13-28-14-16-29(17-15-28)24-26-22-12-11-20(25)18-21(22)23(27-24)19-9-6-5-7-10-19/h5-7,9-12,18H,2-4,8,13-17H2,1H3/p+1